(E)-N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C17H12ClN3O4S MolecularWeight: 389.81288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)SC(=N2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN3O4S/c1-25-14-9-15-13(8-12(14)18)19-17(26-15)20-16(22)6-5-10-3-2-4-11(7-10)21(23)24/h2-9H,1H3,(H,19,20,22)/b6-5+