(1R,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(3-cyano-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[(3-cyano-2-thiophenyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(3-cyanothiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[(3-cyano-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(C=CS2)C#N)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)NC2=C(C=CS2)C#N)C(=O)[O-])C

InChI

InChI=1S/C15H16N2O3S/c1-8-5-11(12(15(19)20)6-9(8)2)13(18)17-14-10(7-16)3-4-21-14/h3-4,11-12H,5-6H2,1-2H3,(H,17,18)(H,19,20)/p-1/t11-,12+/m0/s1