methyl 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[3,4-bis(oxidanyl)phenyl]methylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3,4-dihydroxyphenyl)methylamino]-3-(2-thienyl)propanoate CAS Name: 3-[(3,4-dihydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3,4-dihydroxyphenyl)methylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-(protocatechuylamino)-3-(2-thienyl)propionic acid methyl ester Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H17NO4S/c1-20-15(19)8-11(14-3-2-6-21-14)16-9-10-4-5-12(17)13(18)7-10/h2-7,11,16-18H,8-9H2,1H3