methyl 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(4-keto-2-thioxo-1H-quinazolin-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C18H16N2O3S2/c1-23-17(22)14-11-7-3-5-9-13(11)25-16(14)20-15(21)10-6-2-4-8-12(10)19-18(20)24/h2,4,6,8H,3,5,7,9H2,1H3,(H,19,24)