(E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]but-3-enoate Openeye Name: (E)-4-[4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoate CAS Name: (E)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-3-(1,3-benzothiazol-2-yl)-3-butenoate IUPAC Name: (E)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoate Traditional Name: (E)-4-[4-(2-anilino-2-keto-ethoxy)-3-ethoxy-phenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoate Formula: C27H23N2O5S- MolecularWeight: 487.54692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5S/c1-2-33-23-15-18(12-13-22(23)34-17-25(30)28-20-8-4-3-5-9-20)14-19(16-26(31)32)27-29-21-10-6-7-11-24(21)35-27/h3-15H,2,16-17H2,1H3,(H,28,30)(H,31,32)/p-1/b19-14+