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

Systemtic Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-propan-2-yloxyphenyl)pent-4-enoate Openeye Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-isopropoxyphenyl)pent-4-enoate CAS Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-propan-2-yloxyphenyl)-4-pentenoate IUPAC Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-propan-2-yloxyphenyl)pent-4-enoate Traditional Name: (E)-4-(1,3-benzothiazol-2-yl)-5-(2-isopropoxyphenyl)pent-4-enoate Formula: C21H20NO3S- MolecularWeight: 366.4534

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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)/p-1/b16-13+