propan-2-yl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H21N3O3S/c1-13(2)27-21(26)15-8-10-16(11-9-15)24-19(25)12-28-20-17-6-4-5-7-18(17)22-14(3)23-20/h4-11,13H,12H2,1-3H3,(H,24,25)