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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(isopentylamino)-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-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-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-(isoamylamino)-2-keto-ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C

InChI

InChI=1S/C18H26N2O4S/c1-11(2)8-9-19-15(22)10-24-18(23)16-13-6-4-5-7-14(13)25-17(16)20-12(3)21/h11H,4-10H2,1-3H3,(H,19,22)(H,20,21)