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

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H19NO5S2 MolecularWeight: 393.47716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H19NO5S2/c1-22-18(21)10-13(16-3-2-8-25-16)19-17(20)11-26-12-4-5-14-15(9-12)24-7-6-23-14/h2-5,8-9,13H,6-7,10-11H2,1H3,(H,19,20)