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

Systemtic Name: (1R,2S)-2-[(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(5-acetyl-4-methyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(5-acetyl-4-methyl-2-thiazolyl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(5-acetyl-4-methyl-thiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C14H17N2O4S- MolecularWeight: 309.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2CCCCC2C(=O)[O-])C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])C(=O)C

InChI

InChI=1S/C14H18N2O4S/c1-7-11(8(2)17)21-14(15-7)16-12(18)9-5-3-4-6-10(9)13(19)20/h9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,18)/p-1/t9-,10+/m0/s1