(E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-3-(5-nitro-2-thienyl)acrylamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-])S2)C

InChI

InChI=1S/C16H13N3O3S2/c1-10-3-6-12-13(9-10)24-16(18(12)2)17-14(20)7-4-11-5-8-15(23-11)19(21)22/h3-9H,1-2H3/b7-4+,17-16?