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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2

InChI

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