(E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoic acid

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoic acid Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoic acid CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoic acid Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(4-propoxyphenyl)pent-4-enoic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3S/c1-2-13-25-17-10-7-15(8-11-17)14-16(9-12-20(23)24)21-22-18-5-3-4-6-19(18)26-21/h3-8,10-11,14H,2,9,12-13H2,1H3,(H,23,24)/b16-14+