methyl 2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Openeye Name: methyl 2-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate Traditional Name: 2-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanoylamino]-4,5-dihydrobenzo[g]benzothiophene-3-carboxylic acid methyl ester Formula: C31H25N3O4S2 MolecularWeight: 567.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)SC4=NC5=CC=CC=C5C(=O)N4C6=CC=CC=C6

InChI

InChI=1S/C31H25N3O4S2/c1-18(39-31-32-24-15-9-8-14-22(24)29(36)34(31)20-11-4-3-5-12-20)27(35)33-28-25(30(37)38-2)23-17-16-19-10-6-7-13-21(19)26(23)40-28/h3-15,18H,16-17H2,1-2H3,(H,33,35)