(1S,6R)-6-(1-benzothiophen-3-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(1-benzothiophen-3-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(benzothiophen-3-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(1-benzothiophen-3-ylmethylamino)-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(1-benzothiophen-3-ylmethylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(benzothiophen-3-ylmethylcarbamoyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C19H20NO3S- MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CSC3=CC=CC=C32)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NCC2=CSC3=CC=CC=C32)C(=O)[O-])C

InChI

InChI=1S/C19H21NO3S/c1-11-7-15(16(19(22)23)8-12(11)2)18(21)20-9-13-10-24-17-6-4-3-5-14(13)17/h3-6,10,15-16H,7-9H2,1-2H3,(H,20,21)(H,22,23)/p-1/t15-,16+/m1/s1