[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C21H19NO5S/c1-12-8-9-14(20(24)26-3)10-16(12)22-18(23)11-27-21(25)19-13(2)15-6-4-5-7-17(15)28-19/h4-10H,11H2,1-3H3,(H,22,23)