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

Systemtic Name: (1R,6S)-6-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[3-cyano-5-methyl-4-(4-methylphenyl)-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[3-cyano-5-methyl-4-(p-tolyl)-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C23H23N2O3S- MolecularWeight: 407.50532

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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)C)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)C)C#N)C(=O)[O-])C

InChI

InChI=1S/C23H24N2O3S/c1-12-5-7-16(8-6-12)20-15(4)29-22(19(20)11-24)25-21(26)17-9-13(2)14(3)10-18(17)23(27)28/h5-8,17-18H,9-10H2,1-4H3,(H,25,26)(H,27,28)/p-1/t17-,18+/m0/s1