methyl 6-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[2-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-(2-methoxy-2-oxo-ethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[2-[(2-methoxy-2-oxoethyl)thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(2-methoxy-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-[(2-keto-2-methoxy-ethyl)thio]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC=CCC3C(=O)OC

InChI

InChI=1S/C19H20N2O5S2/c1-25-16(22)10-27-19-21-14-8-7-11(9-15(14)28-19)20-17(23)12-5-3-4-6-13(12)18(24)26-2/h3-4,7-9,12-13H,5-6,10H2,1-2H3,(H,20,23)