methyl 2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O4S2/c1-32-24(31)21-17-11-7-13-19(17)34-22(21)27-20(29)14-33-25-26-18-12-6-5-10-16(18)23(30)28(25)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3,(H,27,29)