(2-oxidanylidene-2-phenylazanyl-ethyl) (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c1-12-7-8-14-15(11-23-16(14)9-12)18(21)22-10-17(20)19-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,19,20)/t12-/m0/s1