(phenylmethyl) (2R)-2-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R)-2-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H22BrN3O4S MolecularWeight: 516.40748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCN3C(=O)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C23H22BrN3O4S/c1-30-20-10-9-16(12-17(20)24)18-14-32-22(25-18)26-21(28)19-8-5-11-27(19)23(29)31-13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,14,19H,5,8,11,13H2,1H3,(H,25,26,28)/t19-/m1/s1