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

Systemtic Name: methyl 4-methyl-3-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C22H23N3O4S/c1-13(2)25-20(27)16-7-5-6-8-17(16)24-22(25)30-12-19(26)23-18-11-15(21(28)29-4)10-9-14(18)3/h5-11,13H,12H2,1-4H3,(H,23,26)