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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H21NO3S/c1-2-12-8-9-15-14(10-12)11-16(24-15)19(22)23-17(18(20)21)13-6-4-3-5-7-13/h3-7,11-12,17H,2,8-10H2,1H3,(H2,20,21)