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

Systemtic Name: methyl 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(3,4-dimethylphenyl)-2-oxoethyl]thio]-3-[(2S)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(3,4-dimethylphenyl)-2-keto-ethyl]thio]-3-[(2S)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5S/c1-13-5-6-16(9-14(13)2)20(27)12-31-23-24-19-10-17(22(29)30-4)7-8-18(19)21(28)25(23)11-15(3)26/h5-10,15,26H,11-12H2,1-4H3/t15-/m0/s1