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

Systemtic Name: (1S,6R)-4-chloranyl-6-[(3-cyano-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-4-chloro-6-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-4-chloro-6-[[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-4-chloro-6-[(3-cyano-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-4-chloro-6-[(3-cyano-4,5-dimethyl-2-thienyl)carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C15H14ClN2O3S- MolecularWeight: 337.80126

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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)[C@@H]2CC(=CC[C@@H]2C(=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)/p-1/t10-,11+/m0/s1