methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N3CCCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H22ClN3O4S/c1-31-22(30)15-8-9-17-19(12-15)25-23(32-14-20(28)26-10-4-5-11-26)27(21(17)29)13-16-6-2-3-7-18(16)24/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3