(E)-3-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-[4-(methylthio)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-methylsulfanylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-N-(6-mesyl-1,3-benzothiazol-2-yl)-3-[4-(methylthio)phenyl]acrylamide Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H16N2O3S3/c1-24-13-6-3-12(4-7-13)5-10-17(21)20-18-19-15-9-8-14(26(2,22)23)11-16(15)25-18/h3-11H,1-2H3,(H,19,20,21)/b10-5+