methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-(p-tolylsulfonylamino)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)-3-[3-(tosylamino)propanoylamino]propionic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC(=O)OC)C2=CC=CS2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC(CC(=O)OC)C2=CC=CS2

InChI

InChI=1S/C18H22N2O5S2/c1-13-5-7-14(8-6-13)27(23,24)19-10-9-17(21)20-15(12-18(22)25-2)16-4-3-11-26-16/h3-8,11,15,19H,9-10,12H2,1-2H3,(H,20,21)