(E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C19H16BrN3O3S/c1-11(24)21-14-5-6-15-17(10-14)27-19(22-15)23-18(25)8-3-12-9-13(20)4-7-16(12)26-2/h3-10H,1-2H3,(H,21,24)(H,22,23,25)/b8-3+