[2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[2-(2-ethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-[[2-(2-ethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CNC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)C

InChI

InChI=1S/C22H22N2O4S/c1-3-15-8-4-6-10-17(15)24-19(25)12-23-20(26)13-28-22(27)21-14(2)16-9-5-7-11-18(16)29-21/h4-11H,3,12-13H2,1-2H3,(H,23,26)(H,24,25)