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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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