methyl 3-oxidanyl-2-[3-(1-thiophen-2-ylsulfonylindol-3-yl)propanoylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[3-(1-thiophen-2-ylsulfonylindol-3-yl)propanoylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[3-[1-(2-thienylsulfonyl)indol-3-yl]propanoylamino]propanoate CAS Name: 3-hydroxy-2-[[1-oxo-3-(1-thiophen-2-ylsulfonyl-3-indolyl)propyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[3-(1-thiophen-2-ylsulfonylindol-3-yl)propanoylamino]propanoate Traditional Name: 3-hydroxy-2-[3-[1-(2-thienylsulfonyl)indol-3-yl]propanoylamino]propionic acid methyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H20N2O6S2/c1-27-19(24)15(12-22)20-17(23)9-8-13-11-21(16-6-3-2-5-14(13)16)29(25,26)18-7-4-10-28-18/h2-7,10-11,15,22H,8-9,12H2,1H3,(H,20,23)