methyl 2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

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