N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(5-nitro-2-thienyl)acrylamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C=CC3=CC=C(S3)[N+](=O)[O-])C

InChI

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