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

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-4-methyl-5-thiazolecarboxylate IUPAC Name: 2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-5-methoxy-4-propoxy-benzyl)amino]-4-methyl-thiazole-5-carboxylate Formula: C16H18BrN2O4S- MolecularWeight: 414.29412

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNC2=NC(=C(S2)C(=O)[O-])C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNC2=NC(=C(S2)C(=O)[O-])C)OC

InChI

InChI=1S/C16H19BrN2O4S/c1-4-5-23-13-11(17)6-10(7-12(13)22-3)8-18-16-19-9(2)14(24-16)15(20)21/h6-7H,4-5,8H2,1-3H3,(H,18,19)(H,20,21)/p-1