[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C20H28N2O4S/c1-12-7-3-5-9-15(12)22-17(24)11-26-20(25)18-14-8-4-6-10-16(14)27-19(18)21-13(2)23/h12,15H,3-11H2,1-2H3,(H,21,23)(H,22,24)