(1S,2R)-2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-propan-2-yl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-isopropyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[(3-ethoxycarbonyl-5-propan-2-yl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[(3-ethoxycarbonyl-5-propan-2-ylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[(3-carbethoxy-5-isopropyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O

InChI

InChI=1S/C18H25NO5S/c1-4-24-18(23)13-9-14(10(2)3)25-16(13)19-15(20)11-7-5-6-8-12(11)17(21)22/h9-12H,4-8H2,1-3H3,(H,19,20)(H,21,22)/t11-,12+/m1/s1