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

Systemtic Name: (1S,6R)-6-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[[4-(4-tert-butylphenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[[4-(4-tert-butylphenyl)-3-carbethoxy-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C26H31NO5S MolecularWeight: 469.59304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C(C)(C)C)C)NC(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO5S/c1-6-32-25(31)21-20(16-11-13-17(14-12-16)26(3,4)5)15(2)33-23(21)27-22(28)18-9-7-8-10-19(18)24(29)30/h7-8,11-14,18-19H,6,9-10H2,1-5H3,(H,27,28)(H,29,30)/t18-,19+/m1/s1