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

Systemtic Name: (1S,2R)-2-[[(5-methyl-4-phenyl-thiophen-3-yl)carbonylamino]carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2R)-2-[[(5-methyl-4-phenyl-thiophene-3-carbonyl)amino]carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2R)-2-[[[(5-methyl-4-phenyl-3-thiophenyl)-oxomethyl]hydrazo]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2R)-2-[[(5-methyl-4-phenylthiophene-3-carbonyl)amino]carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2R)-2-[[(5-methyl-4-phenyl-thiophene-3-carbonyl)amino]carbamoyl]cyclohexanecarboxylate Formula: C20H21N2O4S- MolecularWeight: 385.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)C(=O)NNC(=O)C2CCCCC2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CS1)C(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c1-12-17(13-7-3-2-4-8-13)16(11-27-12)19(24)22-21-18(23)14-9-5-6-10-15(14)20(25)26/h2-4,7-8,11,14-15H,5-6,9-10H2,1H3,(H,21,23)(H,22,24)(H,25,26)/p-1/t14-,15+/m1/s1