2-(3,4-diethoxyphenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 2-(3,4-diethoxyphenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3,4-diethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3,4-diethoxyphenyl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3,4-diethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(3,4-diethoxyphenyl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C28H25N3O5S3 MolecularWeight: 579.7102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5)OCC

InChI

InChI=1S/C28H25N3O5S3/c1-3-35-19-13-12-18(15-20(19)36-4-2)23-22(24(32)21-11-8-14-37-21)25(33)26(34)31(23)27-29-30-28(39-27)38-16-17-9-6-5-7-10-17/h5-15,23,33H,3-4,16H2,1-2H3