4-oxidanylidene-4-[4-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxycarbonylamino]phenyl]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[4-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxycarbonylamino]phenyl]butanoic acid Openeye Name: 4-oxo-4-[4-[(6-thioxocyclohexa-1,3-dien-1-yl)oxycarbonylamino]phenyl]butanoic acid CAS Name: 4-oxo-4-[4-[[oxo-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)oxy]methyl]amino]phenyl]butanoic acid IUPAC Name: 4-oxo-4-[4-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)oxycarbonylamino]phenyl]butanoic acid Traditional Name: 4-keto-4-[4-[(6-thioxocyclohexa-1,3-dien-1-yl)oxycarbonylamino]phenyl]butyric acid Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C(C1=S)OC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1C=CC=C(C1=S)OC(=O)NC2=CC=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C17H15NO5S/c19-13(9-10-16(20)21)11-5-7-12(8-6-11)18-17(22)23-14-3-1-2-4-15(14)24/h1-3,5-8H,4,9-10H2,(H,18,22)(H,20,21)