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

Systemtic Name: (E)-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(3,4-diethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)acrylamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])N2CC

InChI

InChI=1S/C18H17N3O3S2/c1-3-12-6-5-7-14-17(12)20(4-2)18(26-14)19-15(22)10-8-13-9-11-16(25-13)21(23)24/h5-11H,3-4H2,1-2H3/b10-8+,19-18?