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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-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-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H20N2O4S/c1-11(22)21-18-15(13-9-5-6-10-14(13)26-18)19(24)25-16(17(20)23)12-7-3-2-4-8-12/h2-4,7-8,16H,5-6,9-10H2,1H3,(H2,20,23)(H,21,22)