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

Systemtic Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butanamide IUPAC Name: N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-methoxyphenyl)thio]butyramide Formula: C22H26N2O5S3 MolecularWeight: 494.64724

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)OC

InChI

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