N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-phenoxy-propionamide Formula: C20H22N2O4S3 MolecularWeight: 450.59468

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S3/c1-27-13-11-22-17-9-8-16(29(2,24)25)14-18(17)28-20(22)21-19(23)10-12-26-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3