(E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)acrylamide Formula: C20H19N3O5S3 MolecularWeight: 477.57696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S3/c1-29-12-11-22-17-9-8-16(31(2,27)28)13-18(17)30-20(22)21-19(24)10-5-14-3-6-15(7-4-14)23(25)26/h3-10,13H,11-12H2,1-2H3/b10-5+,21-20?