3-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[4-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]phenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)phenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[4-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)phenyl]sulfonylamino]propionic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NCCC(=O)O

InChI

InChI=1S/C18H20N2O5S2/c21-17(22)9-10-19-27(24,25)14-7-5-13(6-8-14)20-18(23)16-11-12-3-1-2-4-15(12)26-16/h5-8,11,19H,1-4,9-10H2,(H,20,23)(H,21,22)