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

Systemtic Name: methyl (2R)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[4-[(4-chlorophenyl)thio]-1-oxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[4-(4-chlorophenyl)sulfanylbutanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[4-[(4-chlorophenyl)thio]butanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H23ClN2O3S MolecularWeight: 430.94762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-28-22(27)20(13-15-14-24-19-6-3-2-5-18(15)19)25-21(26)7-4-12-29-17-10-8-16(23)9-11-17/h2-3,5-6,8-11,14,20,24H,4,7,12-13H2,1H3,(H,25,26)/t20-/m1/s1