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

Systemtic Name: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C23H17N3O4S MolecularWeight: 431.46378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O4S/c27-22(25-23-24-20-12-9-18(26(28)29)14-21(20)31-23)13-8-16-6-10-19(11-7-16)30-15-17-4-2-1-3-5-17/h1-14H,15H2,(H,24,25,27)/b13-8+