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

Systemtic Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C18H15N3O3S MolecularWeight: 353.395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H15N3O3S/c1-11-6-8-15-17(12(11)2)20-18(25-15)19-16(22)9-7-13-4-3-5-14(10-13)21(23)24/h3-10H,1-2H3,(H,19,20,22)/b9-7+