methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O5S/c1-27-22(26)18(10-14-12-23-17-5-3-2-4-16(14)17)24-21(25)13-30-15-6-7-19-20(11-15)29-9-8-28-19/h2-7,11-12,18,23H,8-10,13H2,1H3,(H,24,25)