methyl 2-[[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-oxidanyl-4-(thiophen-3-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-hydroxy-4-(3-thienylmethoxy)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[2-hydroxy-4-(3-thiophenylmethoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-hydroxy-4-(thiophen-3-ylmethoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-hydroxy-4-(3-thenyloxy)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OCC3=CSC=C3)O

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C=C(C=C2)OCC3=CSC=C3)O

InChI

InChI=1S/C22H21NO5S/c1-27-22(26)19(11-15-5-3-2-4-6-15)23-21(25)18-8-7-17(12-20(18)24)28-13-16-9-10-29-14-16/h2-10,12,14,19,24H,11,13H2,1H3,(H,23,25)