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

Systemtic Name: (E)-3-(4-chloranyl-3-nitro-phenyl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(6-morpholino-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-N-[6-(4-morpholinyl)-1,3-benzothiazol-2-yl]-2-propenamide IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)-N-(6-morpholin-4-yl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)-N-(6-morpholino-1,3-benzothiazol-2-yl)acrylamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=O)C=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(S3)NC(=O)/C=C/C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClN4O4S/c21-15-4-1-13(11-17(15)25(27)28)2-6-19(26)23-20-22-16-5-3-14(12-18(16)30-20)24-7-9-29-10-8-24/h1-6,11-12H,7-10H2,(H,22,23,26)/b6-2+