(E)-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)acrylamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O4S/c1-18(2)9-13-16(14(22)10-18)26-17(19-13)20-15(23)8-5-11-3-6-12(7-4-11)21(24)25/h3-8H,9-10H2,1-2H3,(H,19,20,23)/b8-5+