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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxidanylidenebutyl)-1,3-thiazol-4-yl]butanoate Openeye Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxobutyl)thiazol-4-yl]butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxobutyl)-4-thiazolyl]butanoate IUPAC Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-oxobutyl)-1,3-thiazol-4-yl]butanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-4-[2-(4-ketobutyl)thiazol-4-yl]butyrate Formula: C18H18NO5S- MolecularWeight: 360.40422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5S/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/h4-6,8,10,13H,1-3,7,9,11H2,(H,21,22)/p-1