3-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3,4-dihydroxyphenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3,4-dihydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(protocatechuylamino)-3-(2-thienyl)propionic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S/c16-11-4-3-9(6-12(11)17)8-15-10(7-14(18)19)13-2-1-5-20-13/h1-6,10,15-17H,7-8H2,(H,18,19)