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

Systemtic Name: (Z)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (Z)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (Z)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (Z)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (Z)-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)acrylamide Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOCCN1C2=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/C21H21N3O6S2/c1-3-30-13-12-23-18-10-9-17(32(2,28)29)14-19(18)31-21(23)22-20(25)11-6-15-4-7-16(8-5-15)24(26)27/h4-11,14H,3,12-13H2,1-2H3/b11-6-,22-21?