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

Systemtic Name: 4-chloranyl-6-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 4-chloro-6-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 4-chloro-6-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 4-chloro-6-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 4-chloro-6-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CC(=CCC2C(=O)O)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2CC(=CCC2C(=O)O)Cl)C

InChI

InChI=1S/C15H15ClN2O3S/c1-7-8(2)22-14(12(7)6-17)18-13(19)11-5-9(16)3-4-10(11)15(20)21/h3,10-11H,4-5H2,1-2H3,(H,18,19)(H,20,21)