(E)-4-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(5-chloranyl-1-benzothiophen-3-yl)methylamino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(5-chlorobenzothiophen-3-yl)methylamino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(5-chloro-1-benzothiophen-3-yl)methylamino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(5-chlorobenzothiophen-3-yl)methylamino]-4-keto-but-2-enoic acid Formula: C13H10ClNO3S MolecularWeight: 295.7414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=CS2)CNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H10ClNO3S/c14-9-1-2-11-10(5-9)8(7-19-11)6-15-12(16)3-4-13(17)18/h1-5,7H,6H2,(H,15,16)(H,17,18)/b4-3+