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

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H20ClN3O4S MolecularWeight: 457.9299

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)NC3CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H20ClN3O4S/c1-30-21(29)13-6-9-16-18(10-13)25-22(31-12-19(27)24-15-7-8-15)26(20(16)28)11-14-4-2-3-5-17(14)23/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,24,27)