(Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoic acid

Systemtic Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoic acid Openeye Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoic acid CAS Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxyphenyl)-3-butenoic acid IUPAC Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxyphenyl)but-3-enoic acid Traditional Name: (Z)-3-(1,3-benzothiazol-2-yl)-4-(3-ethoxy-4-propoxy-phenyl)but-3-enoic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C(/CC(=O)O)\C2=NC3=CC=CC=C3S2)OCC

InChI

InChI=1S/C22H23NO4S/c1-3-11-27-18-10-9-15(13-19(18)26-4-2)12-16(14-21(24)25)22-23-17-7-5-6-8-20(17)28-22/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,24,25)/b16-12-