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

Systemtic Name: (1S,6R)-6-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2CC=CCC2C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-3-10-9(2)22-15(13(10)8-17)18-14(19)11-6-4-5-7-12(11)16(20)21/h4-5,11-12H,3,6-7H2,1-2H3,(H,18,19)(H,20,21)/t11-,12+/m1/s1