methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-heptanoyl]amino]-3-(1-benzothiophen-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-heptanoyl]amino]-3-(1-benzothiophen-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-heptanoyl]amino]-3-(benzothiophen-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxoheptyl]amino]-3-(1-benzothiophen-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxyheptanoyl]amino]-3-(1-benzothiophen-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-heptanoyl]amino]-3-(benzothiophen-3-yl)propionic acid methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CSC4=CC=CC=C43)C(=O)OC)O

Isomeric SMILES

CCCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CSC4=CC=CC=C43)C(=O)OC)O

InChI

InChI=1S/C26H29NO6S/c1-3-4-8-20(28)24(16-10-11-21-22(13-16)33-15-32-21)25(29)27-19(26(30)31-2)12-17-14-34-23-9-6-5-7-18(17)23/h5-7,9-11,13-14,19-20,24,28H,3-4,8,12,15H2,1-2H3,(H,27,29)