(1S,2S)-2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C17H22NO5S- MolecularWeight: 352.42528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-]

InChI

InChI=1S/C17H23NO5S/c1-4-23-17(22)13-9(2)10(3)24-15(13)18-14(19)11-7-5-6-8-12(11)16(20)21/h11-12H,4-8H2,1-3H3,(H,18,19)(H,20,21)/p-1/t11-,12-/m0/s1