methyl 2-[2-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-[[(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl]thio]quinazolin-3-yl]acetic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-13-8-10-15(11-9-13)22-19(26)14(2)29-21-23-17-7-5-4-6-16(17)20(27)24(21)12-18(25)28-3/h4-11,14H,12H2,1-3H3,(H,22,26)/t14-/m0/s1