methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-amino-2-oxoethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-3-(2-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H16ClN3O4S MolecularWeight: 417.86604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O4S/c1-27-18(26)11-6-7-13-15(8-11)22-19(28-10-16(21)24)23(17(13)25)9-12-4-2-3-5-14(12)20/h2-8H,9-10H2,1H3,(H2,21,24)