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

Systemtic Name: 2-(5-methoxy-4-oxidanyl-cyclohexa-1,3-dien-1-yl)-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)-4-hydroxy-2-(4-hydroxy-5-methoxy-cyclohexa-1,3-dien-1-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-2-(4-hydroxy-5-methoxy-1-cyclohexa-1,3-dienyl)-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)-4-hydroxy-2-(4-hydroxy-5-methoxycyclohexa-1,3-dien-1-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-5-(4-hydroxy-5-methoxy-cyclohexa-1,3-dien-1-yl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C25H21N3O5S3 MolecularWeight: 539.64634

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC(=CC=C1O)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

Isomeric SMILES

COC1CC(=CC=C1O)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H21N3O5S3/c1-33-17-12-15(9-10-16(17)29)20-19(21(30)18-8-5-11-34-18)22(31)23(32)28(20)24-26-27-25(36-24)35-13-14-6-3-2-4-7-14/h2-11,17,20,29,31H,12-13H2,1H3