(E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxy-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxy-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxy-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxyphenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxyphenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-4-(3-butoxy-4-methoxy-phenyl)but-3-enoic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OC

InChI

InChI=1S/C22H23NO4S/c1-3-4-11-27-19-13-15(9-10-18(19)26-2)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+