methyl 4-[1-(2-diethylaminoethyl)-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-diethylaminoethyl)-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-diethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(2-diethylaminoethyl)-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-diethylaminoethyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(2-diethylaminoethyl)-4-hydroxy-5-keto-3-(4-methyl-2-phenyl-thiazole-5-carbonyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C29H31N3O5S MolecularWeight: 533.63854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=C(N=C(S2)C3=CC=CC=C3)C)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H31N3O5S/c1-5-31(6-2)16-17-32-23(19-12-14-21(15-13-19)29(36)37-4)22(25(34)28(32)35)24(33)26-18(3)30-27(38-26)20-10-8-7-9-11-20/h7-15,23,34H,5-6,16-17H2,1-4H3