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

Systemtic Name: methyl 2-[2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H19N3O4S/c1-28-20(27)15-7-3-5-9-17(15)22-18(25)12-29-21-23-16-8-4-2-6-14(16)19(26)24(21)13-10-11-13/h2-9,13H,10-12H2,1H3,(H,22,25)