(1S,2S)-2-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(3-aminocarbonyl-5-methyl-4-phenyl-thiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(3-carbamoyl-5-methyl-4-phenyl-2-thiophenyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(3-carbamoyl-5-methyl-4-phenylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(3-carbamoyl-5-methyl-4-phenyl-2-thienyl)carbamoyl]cyclohexanecarboxylate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-11-15(12-7-3-2-4-8-12)16(17(21)23)19(27-11)22-18(24)13-9-5-6-10-14(13)20(25)26/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H2,21,23)(H,22,24)(H,25,26)/p-1/t13-,14-/m0/s1