methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-[(2S)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-[(2S)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-13-5-6-14(2)17(9-13)12-29-22-23-19-10-16(21(27)28-4)7-8-18(19)20(26)24(22)11-15(3)25/h5-10,15,25H,11-12H2,1-4H3/t15-/m0/s1