methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfonylethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(p-tolylsulfonyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-tosylacetyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C19H17NO5S2/c1-12-7-9-13(10-8-12)27(23,24)11-16(21)20-17-14-5-3-4-6-15(14)26-18(17)19(22)25-2/h3-10H,11H2,1-2H3,(H,20,21)