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

Systemtic Name: 4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(3-propoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(3-propoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C27H23N3O4S3 MolecularWeight: 549.68422

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C27H23N3O4S3/c1-2-13-34-19-11-6-10-18(15-19)22-21(23(31)20-12-7-14-35-20)24(32)25(33)30(22)26-28-29-27(37-26)36-16-17-8-4-3-5-9-17/h3-12,14-15,22,32H,2,13,16H2,1H3