methyl 2-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]benzoate

Systemtic Name: methyl 2-[2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl-methyl-amino]benzoate Openeye Name: methyl 2-[[2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-methyl-amino]benzoate CAS Name: 2-[[2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-methylamino]benzoate Traditional Name: 2-[[2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]-methyl-amino]benzoic acid methyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(C)C4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C27H25N3O4S/c1-17-13-14-19(15-18(17)2)30-25(32)20-9-5-7-11-22(20)28-27(30)35-16-24(31)29(3)23-12-8-6-10-21(23)26(33)34-4/h5-15H,16H2,1-4H3