methyl 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chloro-4-methoxy-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H13ClN2O4S MolecularWeight: 376.81412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=S)Cl

InChI

InChI=1S/C17H13ClN2O4S/c1-23-14-6-4-10(8-12(14)18)20-15(21)11-5-3-9(16(22)24-2)7-13(11)19-17(20)25/h3-8H,1-2H3,(H,19,25)