methyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-23-17(22)10-2-7-13-14(8-10)19-15(20-16(13)21)9-24-12-5-3-11(18)4-6-12/h2-8H,9H2,1H3,(H,19,20,21)