(1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[(3-ethoxycarbonyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[(3-ethoxycarbonyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[(3-carbethoxy-5-methyl-4-phenyl-2-thienyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C3CC(=C(CC3C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)[C@H]3CC(=C(C[C@H]3C(=O)O)C)C

InChI

InChI=1S/C24H27NO5S/c1-5-30-24(29)20-19(16-9-7-6-8-10-16)15(4)31-22(20)25-21(26)17-11-13(2)14(3)12-18(17)23(27)28/h6-10,17-18H,5,11-12H2,1-4H3,(H,25,26)(H,27,28)/t17-,18+/m0/s1