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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C

InChI

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