[(3R,4S,5R,6R)-6-(3-benzamido-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-3-methoxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] N-prop-2-ynoxycarbamate

Systemtic Name: [(3R,4S,5R,6R)-6-(3-benzamido-8-methyl-2-oxidanyl-4-oxidanylidene-chromen-7-yl)oxy-3-methoxy-2,2-dimethyl-5-oxidanyl-oxan-4-yl] N-prop-2-ynoxycarbamate Openeye Name: [(3R,4S,5R,6R)-6-(3-benzamido-2-hydroxy-8-methyl-4-oxo-chromen-7-yl)oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] N-prop-2-ynoxycarbamate CAS Name: N-prop-2-ynoxycarbamic acid [(3R,4S,5R,6R)-6-[(3-benzamido-2-hydroxy-8-methyl-4-oxo-1-benzopyran-7-yl)oxy]-5-hydroxy-3-methoxy-2,2-dimethyl-4-oxanyl] ester IUPAC Name: [(3R,4S,5R,6R)-6-(3-benzamido-2-hydroxy-8-methyl-4-oxochromen-7-yl)oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] N-prop-2-ynoxycarbamate Traditional Name: N-propargyloxycarbamic acid [(3R,4S,5R,6R)-6-(3-benzamido-2-hydroxy-4-keto-8-methyl-chromen-7-yl)oxy-5-hydroxy-3-methoxy-2,2-dimethyl-tetrahydropyran-4-yl] ester Formula: C29H30N2O11 MolecularWeight: 582.5553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC=CC=C3)O)OC4C(C(C(C(O4)(C)C)OC)OC(=O)NOCC#C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=C(C2=O)NC(=O)C3=CC=CC=C3)O)O[C@H]4[C@@H]([C@@H]([C@H](C(O4)(C)C)OC)OC(=O)NOCC#C)O

InChI

InChI=1S/C29H30N2O11/c1-6-14-38-31-28(36)41-23-21(33)27(42-29(3,4)24(23)37-5)39-18-13-12-17-20(32)19(26(35)40-22(17)15(18)2)30-25(34)16-10-8-7-9-11-16/h1,7-13,21,23-24,27,33,35H,14H2,2-5H3,(H,30,34)(H,31,36)/t21-,23+,24-,27-/m1/s1