methyl 2-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[3-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-[(4-oxo-3-phenyl-2-quinazolinyl)thio]propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-[(4-keto-3-phenyl-quinazolin-2-yl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S2 MolecularWeight: 519.6351

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O4S2/c1-34-26(33)23-19-12-6-8-14-21(19)36-24(23)29-22(31)15-16-35-27-28-20-13-7-5-11-18(20)25(32)30(27)17-9-3-2-4-10-17/h2-5,7,9-11,13H,6,8,12,14-16H2,1H3,(H,29,31)