(1R,2R)-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2R)-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2R)-2-[(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2R)-2-[oxo-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2R)-2-[(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2R)-2-[(2-thioxo-3H-1,3-benzothiazol-6-yl)carbamoyl]cyclohexanecarboxylate Formula: C15H15N2O3S2- MolecularWeight: 335.4212

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)NC(=S)S3)C(=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2=CC3=C(C=C2)NC(=S)S3)C(=O)[O-]

InChI

InChI=1S/C15H16N2O3S2/c18-13(9-3-1-2-4-10(9)14(19)20)16-8-5-6-11-12(7-8)22-15(21)17-11/h5-7,9-10H,1-4H2,(H,16,18)(H,17,21)(H,19,20)/p-1/t9-,10-/m1/s1