methyl 2-bromanyl-3-methoxy-6-[[(2R)-3-methoxy-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]sulfanylmethyl]-5-oxidanyl-benzoate

Systemtic Name: methyl 2-bromanyl-3-methoxy-6-[[(2R)-3-methoxy-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]sulfanylmethyl]-5-oxidanyl-benzoate Openeye Name: methyl 2-bromo-5-hydroxy-3-methoxy-6-[[(2R)-3-methoxy-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]-3-oxo-propyl]sulfanylmethyl]benzoate CAS Name: 2-bromo-5-hydroxy-3-methoxy-6-[[[(2R)-3-methoxy-2-[[4-(4-nitrophenyl)-2-thiazolyl]amino]-3-oxopropyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-5-hydroxy-3-methoxy-6-[[(2R)-3-methoxy-2-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]sulfanylmethyl]benzoate Traditional Name: 2-bromo-5-hydroxy-6-[[[(2R)-3-keto-3-methoxy-2-[[4-(4-nitrophenyl)thiazol-2-yl]amino]propyl]thio]methyl]-3-methoxy-benzoic acid methyl ester Formula: C23H22BrN3O8S2 MolecularWeight: 612.47008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)O)CSCC(C(=O)OC)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)Br

Isomeric SMILES

COC1=C(C(=C(C(=C1)O)CSC[C@@H](C(=O)OC)NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)Br

InChI

InChI=1S/C23H22BrN3O8S2/c1-33-18-8-17(28)14(19(20(18)24)22(30)35-3)9-36-10-16(21(29)34-2)26-23-25-15(11-37-23)12-4-6-13(7-5-12)27(31)32/h4-8,11,16,28H,9-10H2,1-3H3,(H,25,26)/t16-/m0/s1