methyl 3-oxidanyl-2-[4-(1-thiophen-2-ylsulfonylindol-3-yl)butanoylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[4-(1-thiophen-2-ylsulfonylindol-3-yl)butanoylamino]propanoate Openeye Name: methyl 3-hydroxy-2-[4-[1-(2-thienylsulfonyl)indol-3-yl]butanoylamino]propanoate CAS Name: 3-hydroxy-2-[[1-oxo-4-(1-thiophen-2-ylsulfonyl-3-indolyl)butyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[4-(1-thiophen-2-ylsulfonylindol-3-yl)butanoylamino]propanoate Traditional Name: 3-hydroxy-2-[4-[1-(2-thienylsulfonyl)indol-3-yl]butanoylamino]propionic acid methyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCCC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N2O6S2/c1-28-20(25)16(13-23)21-18(24)9-4-6-14-12-22(17-8-3-2-7-15(14)17)30(26,27)19-10-5-11-29-19/h2-3,5,7-8,10-12,16,23H,4,6,9,13H2,1H3,(H,21,24)