methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-[[2-[2-(allyloxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[oxo-[[2-[2-[[oxo(prop-2-enoxy)methyl]amino]ethylthio]-1,3-benzothiazol-6-yl]amino]methyl]-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-[[2-[2-(prop-2-enoxycarbonylamino)ethylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[[2-[2-(allyloxycarbonylamino)ethylthio]-1,3-benzothiazol-6-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC=CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCNC(=O)OCC=C

Isomeric SMILES

COC(=O)C1CC=CCC1C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCNC(=O)OCC=C

InChI

InChI=1S/C22H25N3O5S2/c1-3-11-30-21(28)23-10-12-31-22-25-17-9-8-14(13-18(17)32-22)24-19(26)15-6-4-5-7-16(15)20(27)29-2/h3-5,8-9,13,15-16H,1,6-7,10-12H2,2H3,(H,23,28)(H,24,26)