methyl (2S)-2-[2-(2-chlorophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[2-(2-chlorophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[[2-[(2-chlorophenyl)thio]acetyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC=CC=C3Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-26-20(25)17(10-13-11-22-16-8-4-2-6-14(13)16)23-19(24)12-27-18-9-5-3-7-15(18)21/h2-9,11,17,22H,10,12H2,1H3,(H,23,24)/t17-/m0/s1