methyl 4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-5-oxo-1-(3-pyridylmethyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-3-[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]-5-oxo-1-(3-pyridinylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-1-(3-pyridylmethyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C29H23N3O5S MolecularWeight: 525.57502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)CC5=CN=CC=C5)O

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)C(=O)OC)CC5=CN=CC=C5)O

InChI

InChI=1S/C29H23N3O5S/c1-17-26(38-27(31-17)20-8-4-3-5-9-20)24(33)22-23(19-10-12-21(13-11-19)29(36)37-2)32(28(35)25(22)34)16-18-7-6-14-30-15-18/h3-15,23,34H,16H2,1-2H3