(E)-4-oxidanyl-2-oxidanylidene-4-(4-phenylsulfanyl-1H-pyrrol-3-yl)but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-(4-phenylsulfanyl-1H-pyrrol-3-yl)but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-(4-phenylsulfanyl-1H-pyrrol-3-yl)but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[4-(phenylthio)-1H-pyrrol-3-yl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-(4-phenylsulfanyl-1H-pyrrol-3-yl)but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[4-(phenylthio)-1H-pyrrol-3-yl]but-3-enoic acid Formula: C14H11NO4S MolecularWeight: 289.30644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CNC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CNC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H11NO4S/c16-11(6-12(17)14(18)19)10-7-15-8-13(10)20-9-4-2-1-3-5-9/h1-8,15-16H,(H,18,19)/b11-6+