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

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-anilino-2-oxo-ethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2-anilino-2-oxoethyl)thio]-3-[(2-chlorophenyl)methyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-anilino-2-oxoethyl)sulfanyl-3-[(2-chlorophenyl)methyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2-anilino-2-keto-ethyl)thio]-3-(2-chlorobenzyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C25H20ClN3O4S/c1-33-24(32)16-11-12-19-21(13-16)28-25(34-15-22(30)27-18-8-3-2-4-9-18)29(23(19)31)14-17-7-5-6-10-20(17)26/h2-13H,14-15H2,1H3,(H,27,30)