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

Systemtic Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-6-[[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-6-[[3-carbethoxy-4-(4-methoxyphenyl)-5-methyl-2-thienyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO6S/c1-4-30-23(28)19-18(14-9-11-15(29-3)12-10-14)13(2)31-21(19)24-20(25)16-7-5-6-8-17(16)22(26)27/h5-6,9-12,16-17H,4,7-8H2,1-3H3,(H,24,25)(H,26,27)/t16-,17+/m0/s1