methyl 4-methyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C15H17N3O3S/c1-10-4-5-11(14(20)21-3)8-12(10)17-13(19)9-22-15-16-6-7-18(15)2/h4-8H,9H2,1-3H3,(H,17,19)