methyl 2-[2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC)C

InChI

InChI=1S/C21H20N2O4S/c1-13-8-9-15(14(2)10-13)18(24)12-28-21-22-17-7-5-4-6-16(17)20(26)23(21)11-19(25)27-3/h4-10H,11-12H2,1-3H3