2-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3-cyano-5-methoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3-cyano-5-methoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3-cyano-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(5-carbomethoxy-3-cyano-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2CCCCC2C(=O)O)C(=O)OC

InChI

InChI=1S/C16H18N2O5S/c1-8-11(7-17)14(24-12(8)16(22)23-2)18-13(19)9-5-3-4-6-10(9)15(20)21/h9-10H,3-6H2,1-2H3,(H,18,19)(H,20,21)