(1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxylate CAS Name: (1S,6R)-6-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-3-methyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)-3-methylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6R)-6-(1,3-benzothiazol-2-ylcarbamoyl)-3-methyl-cyclohex-3-ene-1-carboxylate Formula: C16H15N2O3S- MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C(=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC[C@H]([C@H](C1)C(=O)[O-])C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O3S/c1-9-6-7-10(11(8-9)15(20)21)14(19)18-16-17-12-4-2-3-5-13(12)22-16/h2-6,10-11H,7-8H2,1H3,(H,20,21)(H,17,18,19)/p-1/t10-,11+/m1/s1