methyl 2-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[3-(2,3-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]amino]acetate CAS Name: 2-[[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[3-(2,3-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]amino]acetate Traditional Name: 2-[[3-(2,3-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]amino]acetic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(=O)OC)NC2=S)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC(=O)OC)NC2=S)C

InChI

InChI=1S/C20H19N3O4S/c1-11-5-4-6-16(12(11)2)23-19(26)14-8-7-13(9-15(14)22-20(23)28)18(25)21-10-17(24)27-3/h4-9H,10H2,1-3H3,(H,21,25)(H,22,28)