(E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C18H13ClN4O4S MolecularWeight: 416.83822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN4O4S/c1-10(24)20-12-4-6-14-16(9-12)28-18(21-14)22-17(25)7-3-11-2-5-13(19)15(8-11)23(26)27/h2-9H,1H3,(H,20,24)(H,21,22,25)/b7-3+