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

Systemtic Name: methyl 2-[3-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(3-ethyl-4-keto-quinazolin-2-yl)thio]propanoylamino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-24-19(26)14-8-4-6-10-16(14)23-21(24)29-13-12-18(25)22-17-11-7-5-9-15(17)20(27)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,25)