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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S3/c1-29-11-10-22-17-8-7-16(31(2,27)28)13-18(17)30-20(22)21-19(24)9-6-14-4-3-5-15(12-14)23(25)26/h3-9,12-13H,10-11H2,1-2H3/b9-6+,21-20?