2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[(3-methoxy-4-phenylmethoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-benzoxy-3-methoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C20H19N2O4S- MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)[O-]

InChI

InChI=1S/C20H20N2O4S/c1-13-18(19(23)24)27-20(22-13)21-11-15-8-9-16(17(10-15)25-2)26-12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/p-1