3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxidanylbutyl)-1,3-thiazol-4-yl]butanoate

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxidanylbutyl)-1,3-thiazol-4-yl]butanoate Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-hydroxybutyl)thiazol-4-yl]butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-hydroxybutyl)-4-thiazolyl]butanoate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-hydroxybutyl)-1,3-thiazol-4-yl]butanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-hydroxybutyl)thiazol-4-yl]butyrate Formula: C18H20NO5S- MolecularWeight: 362.4201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CSC(=N3)CCCCO)CC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC3=CSC(=N3)CCCCO)CC(=O)[O-]

InChI

InChI=1S/C18H21NO5S/c20-6-2-1-3-17-19-14(10-25-17)7-13(9-18(21)22)12-4-5-15-16(8-12)24-11-23-15/h4-5,8,10,13,20H,1-3,6-7,9,11H2,(H,21,22)/p-1