(1R,6S)-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[[2-(methylthio)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Formula: C16H15N2O3S2- MolecularWeight: 347.4319

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)[O-]

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H16N2O3S2/c1-22-16-18-12-7-6-9(8-13(12)23-16)17-14(19)10-4-2-3-5-11(10)15(20)21/h2-3,6-8,10-11H,4-5H2,1H3,(H,17,19)(H,20,21)/p-1/t10-,11+/m0/s1