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

Systemtic Name: methyl 6-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[[2-[(2-methoxyphenyl)methylthio]-1,3-benzothiazol-6-yl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[(2-methoxyphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-(o-anisylthio)-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CC=CCC4C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4CC=CCC4C(=O)OC

InChI

InChI=1S/C24H24N2O4S2/c1-29-20-10-6-3-7-15(20)14-31-24-26-19-12-11-16(13-21(19)32-24)25-22(27)17-8-4-5-9-18(17)23(28)30-2/h3-7,10-13,17-18H,8-9,14H2,1-2H3,(H,25,27)