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

Systemtic Name: (1S,6R)-6-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-[[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-[[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C23H23N2O4S- MolecularWeight: 423.50472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OC)C#N)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@@H]([C@@H](C1)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OC)C#N)C(=O)[O-])C

InChI

InChI=1S/C23H24N2O4S/c1-12-9-17(18(23(27)28)10-13(12)2)21(26)25-22-19(11-24)20(14(3)30-22)15-5-7-16(29-4)8-6-15/h5-8,17-18H,9-10H2,1-4H3,(H,25,26)(H,27,28)/p-1/t17-,18+/m1/s1