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

Systemtic Name: methyl 6-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-4-25(5-2)19(26)13-30-22-24-17-11-10-14(12-18(17)31-22)23-20(27)15-8-6-7-9-16(15)21(28)29-3/h6-7,10-12,15-16H,4-5,8-9,13H2,1-3H3,(H,23,27)