methyl (2S)-2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-methoxy-4-(thiazol-4-ylmethoxy)benzoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-methoxy-4-(4-thiazolylmethoxy)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-methoxy-4-(thiazol-4-ylmethoxy)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OCC3=CSC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC)OCC3=CSC=N3

InChI

InChI=1S/C22H22N2O5S/c1-27-20-11-16(8-9-19(20)29-12-17-13-30-14-23-17)21(25)24-18(22(26)28-2)10-15-6-4-3-5-7-15/h3-9,11,13-14,18H,10,12H2,1-2H3,(H,24,25)/t18-/m0/s1