[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 3-bromanyl-5-methoxy-4-propoxy-benzoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 3-bromo-5-methoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-methoxy-4-propoxybenzoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 3-bromo-5-methoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-methoxy-4-propoxy-benzoic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H23BrN2O4S MolecularWeight: 491.39802

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC2=CSC(=N2)NC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C22H23BrN2O4S/c1-4-9-28-20-18(23)10-15(11-19(20)27-3)21(26)29-12-17-13-30-22(25-17)24-16-7-5-14(2)6-8-16/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,24,25)