(1S,2R)-2-[[5-(dimethylcarbamoyl)-4-methyl-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[5-(dimethylcarbamoyl)-4-methyl-3-propan-2-yloxycarbonyl-thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[5-(dimethylcarbamoyl)-3-isopropoxycarbonyl-4-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[[5-[dimethylamino(oxo)methyl]-4-methyl-3-[oxo(propan-2-yloxy)methyl]-2-thiophenyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[5-(dimethylcarbamoyl)-4-methyl-3-propan-2-yloxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[5-(dimethylcarbamoyl)-3-isopropoxycarbonyl-4-methyl-2-thienyl]carbamoyl]cyclohexanecarboxylic acid Formula: C20H28N2O6S MolecularWeight: 424.51112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C(=O)N(C)C

InChI

InChI=1S/C20H28N2O6S/c1-10(2)28-20(27)14-11(3)15(18(24)22(4)5)29-17(14)21-16(23)12-8-6-7-9-13(12)19(25)26/h10,12-13H,6-9H2,1-5H3,(H,21,23)(H,25,26)/t12-,13+/m1/s1