N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C24H29N3O6S3 MolecularWeight: 551.69856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=CC(=C(C=C4S3)OC)OC)CCSC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=CC(=C(C=C4S3)OC)OC)CCSC

InChI

InChI=1S/C24H29N3O6S3/c1-31-16-7-9-17(10-8-16)36(29,30)27-11-5-6-18(27)23(28)25-24-26(12-13-34-4)19-14-20(32-2)21(33-3)15-22(19)35-24/h7-10,14-15,18H,5-6,11-13H2,1-4H3