(E)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)acrylamide Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])N2CC#C

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])N2CC#C

InChI

InChI=1S/C18H13N3O4S2/c1-3-11-20-17-13(25-2)5-4-6-14(17)27-18(20)19-15(22)9-7-12-8-10-16(26-12)21(23)24/h1,4-10H,11H2,2H3/b9-7+,19-18?