6-[[4-(4-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[4-(4-butylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[4-(4-butylphenyl)-3-ethoxycarbonyl-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[4-(4-butylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[4-(4-butylphenyl)-3-ethoxycarbonylthiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[4-(4-butylphenyl)-3-carbethoxy-2-thienyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C27H33NO5S MolecularWeight: 483.61962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3CC(=C(CC3C(=O)O)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3CC(=C(CC3C(=O)O)C)C

InChI

InChI=1S/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)