(E)-4-[4-(1-benzothiophen-3-yl)piperidin-1-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(1-benzothiophen-3-yl)piperidin-1-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(benzothiophen-3-yl)-1-piperidyl]oxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(1-benzothiophen-3-yl)-1-piperidinyl]oxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(1-benzothiophen-3-yl)piperidin-1-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(benzothiophen-3-yl)piperidino]oxy-4-keto-but-2-enoic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CSC3=CC=CC=C32)OC(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCC1C2=CSC3=CC=CC=C32)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-16(20)5-6-17(21)22-18-9-7-12(8-10-18)14-11-23-15-4-2-1-3-13(14)15/h1-6,11-12H,7-10H2,(H,19,20)/b6-5+