2-[2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methylamino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-bromo-5-methoxy-4-propoxy-phenyl)methylamino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[(3-bromo-5-methoxy-4-propoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-bromo-5-methoxy-4-propoxy-benzyl)amino]thiazol-4-yl]acetic acid Formula: C16H19BrN2O4S MolecularWeight: 415.30206

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CNC2=NC(=CS2)CC(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CNC2=NC(=CS2)CC(=O)O)OC

InChI

InChI=1S/C16H19BrN2O4S/c1-3-4-23-15-12(17)5-10(6-13(15)22-2)8-18-16-19-11(9-24-16)7-14(20)21/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)