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

Systemtic Name: (1R,2S)-2-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(5-ethoxycarbonyl-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(5-ethoxycarbonyl-4-phenyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(5-ethoxycarbonyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(5-carbethoxy-4-phenyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2CCCCC2C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O5S/c1-2-27-19(26)16-15(12-8-4-3-5-9-12)21-20(28-16)22-17(23)13-10-6-7-11-14(13)18(24)25/h3-5,8-9,13-14H,2,6-7,10-11H2,1H3,(H,24,25)(H,21,22,23)/p-1/t13-,14+/m0/s1