methyl 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C21H22N2O4S/c1-13-4-6-15(7-5-13)12-28-21-22-18-10-16(20(26)27-3)8-9-17(18)19(25)23(21)11-14(2)24/h4-10,14,24H,11-12H2,1-3H3/t14-/m0/s1