N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butanamide CAS Name: N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonylbutanamide Traditional Name: N-[3-(2-methoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfonyl-butyramide Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O5S3/c1-28-13-12-24-19-11-8-17(30-3)15-20(19)31-22(24)23-21(25)5-4-14-32(26,27)18-9-6-16(29-2)7-10-18/h6-11,15H,4-5,12-14H2,1-3H3