3-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methylamino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methylamino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[4,5-bis(4-methoxyphenyl)thiazol-2-yl]methylamino]-3-oxo-propanoic acid CAS Name: 3-[[4,5-bis(4-methoxyphenyl)-2-thiazolyl]methylamino]-3-oxopropanoic acid IUPAC Name: 3-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methylamino]-3-oxopropanoic acid Traditional Name: 3-[[4,5-bis(4-methoxyphenyl)thiazol-2-yl]methylamino]-3-keto-propionic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(SC(=N2)CNC(=O)CC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(SC(=N2)CNC(=O)CC(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-27-15-7-3-13(4-8-15)20-21(14-5-9-16(28-2)10-6-14)29-18(23-20)12-22-17(24)11-19(25)26/h3-10H,11-12H2,1-2H3,(H,22,24)(H,25,26)