3-[[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylamino]propionic acid Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O)C

InChI

InChI=1S/C17H20N2O5S2/c1-3-14-11(2)10-15(25-14)17(22)19-12-4-6-13(7-5-12)26(23,24)18-9-8-16(20)21/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,22)(H,20,21)