methyl 2-[2-[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-13(19(27)23-11-14-7-3-5-9-16(14)22)30-21-24-17-10-6-4-8-15(17)20(28)25(21)12-18(26)29-2/h3-10,13H,11-12H2,1-2H3,(H,23,27)