(1S,2S)-2-[(3-methoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(3-methoxycarbonyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3-methoxycarbonyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(3-methoxycarbonyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3-methoxycarbonyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3-carbomethoxy-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C20H20NO5S- MolecularWeight: 386.4415

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-]

InChI

InChI=1S/C20H21NO5S/c1-26-20(25)16-15(12-7-3-2-4-8-12)11-27-18(16)21-17(22)13-9-5-6-10-14(13)19(23)24/h2-4,7-8,11,13-14H,5-6,9-10H2,1H3,(H,21,22)(H,23,24)/p-1/t13-,14-/m0/s1