(1S,2S)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[(5-ethyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(5-ethyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C19H21N2O3S- MolecularWeight: 357.44664

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N=C(S1)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c1-2-15-16(12-8-4-3-5-9-12)20-19(25-15)21-17(22)13-10-6-7-11-14(13)18(23)24/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,23,24)(H,20,21,22)/p-1/t13-,14-/m0/s1