[(3R,4S,5R,6S)-6-[8-chloranyl-3-[[(E)-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]-2-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(3R,4S,5R,6S)-6-[8-chloranyl-3-[[(E)-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-enoyl]amino]-2-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-3-methoxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Openeye Name: [(3R,4S,5R,6S)-6-[8-chloro-3-[[(E)-3-(3-chloro-4-hydroxy-phenyl)prop-2-enoyl]amino]-2-hydroxy-4-oxo-chromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] 5-methyl-1H-pyrrole-2-carboxylate CAS Name: 5-methyl-1H-pyrrole-2-carboxylic acid [(3R,4S,5R,6S)-6-[[8-chloro-3-[[(E)-3-(3-chloro-4-hydroxyphenyl)-1-oxoprop-2-enyl]amino]-2-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-5-hydroxy-3-methoxy-2,2-dimethyl-4-oxanyl] ester IUPAC Name: [(3R,4S,5R,6S)-6-[8-chloro-3-[[(E)-3-(3-chloro-4-hydroxyphenyl)prop-2-enoyl]amino]-2-hydroxy-4-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate Traditional Name: 5-methyl-1H-pyrrole-2-carboxylic acid [(3R,4S,5R,6S)-6-[8-chloro-3-[[(E)-3-(3-chloro-4-hydroxy-phenyl)acryloyl]amino]-2-hydroxy-4-keto-chromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] ester Formula: C32H30Cl2N2O11 MolecularWeight: 689.4934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)C=CC5=CC(=C(C=C5)O)Cl)Cl)O

Isomeric SMILES

CC1=CC=C(N1)C(=O)O[C@H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=O)/C=C/C5=CC(=C(C=C5)O)Cl)Cl)O

InChI

InChI=1S/C32H30Cl2N2O11/c1-14-5-9-18(35-14)29(41)46-27-25(40)31(47-32(2,3)28(27)43-4)44-20-11-8-16-24(39)23(30(42)45-26(16)22(20)34)36-21(38)12-7-15-6-10-19(37)17(33)13-15/h5-13,25,27-28,31,35,37,40,42H,1-4H3,(H,36,38)/b12-7+/t25-,27+,28-,31-/m1/s1