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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H21N3O4S/c1-4-28-20(27)14-9-11-15(12-10-14)22-18(25)13(2)29-21-23-17-8-6-5-7-16(17)19(26)24(21)3/h5-13H,4H2,1-3H3,(H,22,25)