N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=C(C=C4)SC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N=C3N(C4=C(S3)C=C(C=C4)SC)C

InChI

InChI=1S/C21H23N3O3S3/c1-14-6-9-16(10-7-14)30(26,27)24-12-4-5-18(24)20(25)22-21-23(2)17-11-8-15(28-3)13-19(17)29-21/h6-11,13,18H,4-5,12H2,1-3H3