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

Systemtic Name: 2-(3-ethoxy-4-prop-2-enoxy-phenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(4-allyloxy-3-ethoxy-phenyl)-1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3-ethoxy-4-prop-2-enoxyphenyl)-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-ethoxy-4-prop-2-enoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-allyloxy-3-ethoxy-phenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H25N3O5S3 MolecularWeight: 591.7209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N3O5S3/c1-3-14-37-20-13-12-19(16-21(20)36-4-2)24-23(25(33)22-11-8-15-38-22)26(34)27(35)32(24)28-30-31-29(40-28)39-17-18-9-6-5-7-10-18/h3,5-13,15-16,24,34H,1,4,14,17H2,2H3