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

Systemtic Name: methyl 3-[3-[(4-ethanoylphenyl)sulfonylamino]propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[3-[(4-acetylphenyl)sulfonylamino]-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S2/c1-13(22)14-5-7-15(8-6-14)29(25,26)20-10-9-18(23)21-16(12-19(24)27-2)17-4-3-11-28-17/h3-8,11,16,20H,9-10,12H2,1-2H3,(H,21,23)