[1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [1-[methyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-[benzyl(methyl)amino]-1-methyl-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 [1-[methyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-[benzyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)OC(=O)C2=C(SC3=C2CCCC3)NC(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-14(21(26)24(3)13-16-9-5-4-6-10-16)28-22(27)19-17-11-7-8-12-18(17)29-20(19)23-15(2)25/h4-6,9-10,14H,7-8,11-13H2,1-3H3,(H,23,25)