methyl (2S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(2-benzo[e][1]benzofuran-1-ylethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1-benzo[e]benzofuranyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-benzo[e]benzofuran-1-ylacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CC1=COC2=C1C3=CC=CC=C3C=C2

InChI

InChI=1S/C20H21NO4S/c1-24-20(23)16(9-10-26-2)21-18(22)11-14-12-25-17-8-7-13-5-3-4-6-15(13)19(14)17/h3-8,12,16H,9-11H2,1-2H3,(H,21,22)/t16-/m0/s1