methyl 3-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[[(1S)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[[(1S)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)CSCCC(=O)OC

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-11(14-9-12-5-3-4-6-13(12)21-14)17-15(18)10-22-8-7-16(19)20-2/h3-6,9,11H,7-8,10H2,1-2H3,(H,17,18)/t11-/m0/s1