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

Systemtic Name: methyl 4-[1-(2-dimethylaminoethyl)-3-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(2-dimethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(2-dimethylaminoethyl)-4-hydroxy-3-[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-dimethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(2-dimethylaminoethyl)-4-hydroxy-5-keto-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H27N3O5S MolecularWeight: 505.58538

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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)CCN(C)C)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)CCN(C)C)O

InChI

InChI=1S/C27H27N3O5S/c1-16-24(36-25(28-16)18-8-6-5-7-9-18)22(31)20-21(17-10-12-19(13-11-17)27(34)35-4)30(15-14-29(2)3)26(33)23(20)32/h5-13,21,32H,14-15H2,1-4H3