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

Systemtic Name: (E)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-3-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6S2/c1-3-30-12-11-23-18-9-8-17(32(2,28)29)14-19(18)31-21(23)22-20(25)10-7-15-5-4-6-16(13-15)24(26)27/h4-10,13-14H,3,11-12H2,1-2H3/b10-7+,22-21?