methyl 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-3-bromanyl-benzoate

Systemtic Name: methyl 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-3-bromanyl-benzoate Openeye Name: methyl 4-[(2-acetamidothiazol-4-yl)methoxy]-3-bromo-benzoate CAS Name: 4-[(2-acetamido-4-thiazolyl)methoxy]-3-bromobenzoic acid methyl ester IUPAC Name: methyl 4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-3-bromobenzoate Traditional Name: 4-[(2-acetamidothiazol-4-yl)methoxy]-3-bromo-benzoic acid methyl ester Formula: C14H13BrN2O4S MolecularWeight: 385.23302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC2=C(C=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC2=C(C=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C14H13BrN2O4S/c1-8(18)16-14-17-10(7-22-14)6-21-12-4-3-9(5-11(12)15)13(19)20-2/h3-5,7H,6H2,1-2H3,(H,16,17,18)