methyl (2R)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[[2-[(4-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=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-26-20(25)18(10-13-11-22-17-5-3-2-4-16(13)17)23-19(24)12-27-15-8-6-14(21)7-9-15/h2-9,11,18,22H,10,12H2,1H3,(H,23,24)/t18-/m1/s1