(E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[3-(2-methoxyethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-3-(5-nitro-2-thienyl)acrylamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])N2CCOC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])N2CCOC

InChI

InChI=1S/C18H17N3O4S2/c1-12-4-3-5-14-17(12)20(10-11-25-2)18(27-14)19-15(22)8-6-13-7-9-16(26-13)21(23)24/h3-9H,10-11H2,1-2H3/b8-6+,19-18?