3-[[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(2,5-dimethyl-3-thienyl)sulfonylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(2,5-dimethyl-3-thiophenyl)sulfonylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(2,5-dimethyl-3-thienyl)sulfonylamino]benzoyl]amino]propionic acid Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H18N2O5S2/c1-10-9-14(11(2)24-10)25(22,23)18-13-5-3-12(4-6-13)16(21)17-8-7-15(19)20/h3-6,9,18H,7-8H2,1-2H3,(H,17,21)(H,19,20)