(1R,6S)-3,4-dimethyl-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-3,4-dimethyl-6-(2-thienylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-(thiophen-2-ylmethylamino)methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-(thiophen-2-ylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-(2-thenylcarbamoyl)cyclohex-3-ene-1-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NCC2=CC=CS2)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NCC2=CC=CS2)C(=O)O)C

InChI

InChI=1S/C15H19NO3S/c1-9-6-12(13(15(18)19)7-10(9)2)14(17)16-8-11-4-3-5-20-11/h3-5,12-13H,6-8H2,1-2H3,(H,16,17)(H,18,19)/t12-,13+/m0/s1