(1R,6S)-6-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2CC(=C(CC2C(=O)O)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)[C@H]2CC(=C(C[C@H]2C(=O)O)C)C)C

InChI

InChI=1S/C18H22N2O3S/c1-5-12-11(4)24-17(15(12)8-19)20-16(21)13-6-9(2)10(3)7-14(13)18(22)23/h13-14H,5-7H2,1-4H3,(H,20,21)(H,22,23)/t13-,14+/m0/s1