(E)-3-(3-nitrophenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(3-nitrophenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]prop-2-enamide Openeye Name: (E)-3-(3-nitrophenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]prop-2-enamide CAS Name: (E)-3-(3-nitrophenyl)-N-[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: (E)-3-(3-nitrophenyl)-N-[2-(propanoylamino)-1,3-benzothiazol-6-yl]prop-2-enamide Traditional Name: (E)-3-(3-nitrophenyl)-N-(2-propionamido-1,3-benzothiazol-6-yl)acrylamide Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O4S/c1-2-17(24)22-19-21-15-8-7-13(11-16(15)28-19)20-18(25)9-6-12-4-3-5-14(10-12)23(26)27/h3-11H,2H2,1H3,(H,20,25)(H,21,22,24)/b9-6+