methyl 4-methyl-3-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C20H19N3O3S/c1-12-8-9-14(20(25)26-3)10-17(12)23-18(24)11-27-19-15-6-4-5-7-16(15)21-13(2)22-19/h4-10H,11H2,1-3H3,(H,23,24)