3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(5-chloro-2-hydroxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(5-chloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(5-chloro-2-hydroxy-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H14ClNO3S MolecularWeight: 311.78386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C14H14ClNO3S/c15-10-3-4-12(17)9(6-10)8-16-11(7-14(18)19)13-2-1-5-20-13/h1-6,11,16-17H,7-8H2,(H,18,19)