methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-allylsulfanyl-3-[(2-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-2-(prop-2-enylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-prop-2-enylsulfanylquinazoline-7-carboxylate Traditional Name: 2-(allylthio)-3-(2-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN2O3S/c1-3-10-27-20-22-17-11-13(19(25)26-2)8-9-15(17)18(24)23(20)12-14-6-4-5-7-16(14)21/h3-9,11H,1,10,12H2,2H3