[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] (E)-3-(4-benzyloxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] (E)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)acrylic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=CC=CC3=NSN=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5S/c1-2-32-23-15-18(11-13-22(23)33-16-19-7-4-3-5-8-19)12-14-25(31)34-17-24(30)27-20-9-6-10-21-26(20)29-35-28-21/h3-15H,2,16-17H2,1H3,(H,27,30)/b14-12+