methyl 3-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-[(3,4-dimethylphenyl)thio]ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dimethylphenyl)sulfanylethyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-[(3,4-dimethylphenyl)thio]ethyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCN2C(=O)C3=C(C=C(C=C3)C(=O)OC)NC2=O)C

InChI

InChI=1S/C20H20N2O4S/c1-12-4-6-15(10-13(12)2)27-9-8-22-18(23)16-7-5-14(19(24)26-3)11-17(16)21-20(22)25/h4-7,10-11H,8-9H2,1-3H3,(H,21,25)