(E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thienyl)acrylamide Formula: C16H13N3O5S2 MolecularWeight: 391.42152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C2C(=C(C=C1)OC)SC(=N2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5S2/c1-23-10-5-6-11(24-2)15-14(10)18-16(26-15)17-12(20)7-3-9-4-8-13(25-9)19(21)22/h3-8H,1-2H3,(H,17,18,20)/b7-3+