[2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-[(4-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [2-[(4-bromobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)COC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C21H19BrN2O4S/c1-24(10-15-2-6-17(22)7-3-15)20(25)12-28-21(26)16-4-8-19(9-5-16)27-11-18-13-29-14-23-18/h2-9,13-14H,10-12H2,1H3