methyl 4-oxidanylidene-2-sulfanylidene-3-(thiophen-2-ylcarbonylamino)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-sulfanylidene-3-(thiophen-2-ylcarbonylamino)-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(thiophene-2-carbonylamino)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-thenoylamino)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H11N3O4S2 MolecularWeight: 361.39554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C15H11N3O4S2/c1-22-14(21)8-4-5-9-10(7-8)16-15(23)18(13(9)20)17-12(19)11-3-2-6-24-11/h2-7H,1H3,(H,16,23)(H,17,19)