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

Systemtic Name: 3-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3,5-dichloro-2-hydroxy-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3,5-dichloro-2-hydroxy-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H13Cl2NO3S MolecularWeight: 346.22892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C14H13Cl2NO3S/c15-9-4-8(14(20)10(16)5-9)7-17-11(6-13(18)19)12-2-1-3-21-12/h1-5,11,17,20H,6-7H2,(H,18,19)