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

Systemtic Name: (1R,2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylate Formula: C16H17N2O3S- MolecularWeight: 317.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCCC3C(=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H18N2O3S/c1-9-5-4-8-12-13(9)17-16(22-12)18-14(19)10-6-2-3-7-11(10)15(20)21/h4-5,8,10-11H,2-3,6-7H2,1H3,(H,20,21)(H,17,18,19)/p-1/t10-,11+/m0/s1