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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-benzamido-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-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-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-benzamido-2-keto-ethyl) ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S/c1-12(23)21-19-17(14-9-5-6-10-15(14)28-19)20(26)27-11-16(24)22-18(25)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-11H2,1H3,(H,21,23)(H,22,24,25)