2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[3-ethoxycarbonyl-4-(4-methoxyphenyl)-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[3-carbethoxy-4-(4-methoxyphenyl)-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C22H25NO6S/c1-3-29-22(27)18-17(13-8-10-14(28-2)11-9-13)12-30-20(18)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-12,15-16H,3-7H2,1-2H3,(H,23,24)(H,25,26)