(2-acetamido-1,3-thiazol-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)NC(=O)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)NC(=O)C)OC

InChI

InChI=1S/C17H19BrN2O5S/c1-4-5-24-15-13(18)6-11(7-14(15)23-3)16(22)25-8-12-9-26-17(20-12)19-10(2)21/h6-7,9H,4-5,8H2,1-3H3,(H,19,20,21)