(2-oxidanylidene-2-phenylazanyl-ethyl) (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (5S)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-anilino-2-keto-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)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3S/c1-2-13-8-9-16-14(10-13)11-17(24-16)19(22)23-12-18(21)20-15-6-4-3-5-7-15/h3-7,11,13H,2,8-10,12H2,1H3,(H,20,21)/t13-/m0/s1