N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[6-methoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[6-methoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-pyrrolidinosulfonyl-benzamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CCSC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CCSC

InChI

InChI=1S/C22H25N3O4S3/c1-29-17-7-10-19-20(15-17)31-22(25(19)13-14-30-2)23-21(26)16-5-8-18(9-6-16)32(27,28)24-11-3-4-12-24/h5-10,15H,3-4,11-14H2,1-2H3