[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: (5S)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25NO3S/c1-15-9-10-18-17(13-15)14-19(27-18)22(25)26-20(16-7-3-2-4-8-16)21(24)23-11-5-6-12-23/h2-4,7-8,14-15,20H,5-6,9-13H2,1H3/t15-,20+/m0/s1