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

Systemtic Name: (phenylmethyl) (2R)-2-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R)-2-[[4-(3-aminophenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[[4-(3-aminophenyl)-2-thiazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[4-(3-aminophenyl)thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)N

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=NC(=CS3)C4=CC(=CC=C4)N

InChI

InChI=1S/C22H22N4O3S/c23-17-9-4-8-16(12-17)18-14-30-21(24-18)25-20(27)19-10-5-11-26(19)22(28)29-13-15-6-2-1-3-7-15/h1-4,6-9,12,14,19H,5,10-11,13,23H2,(H,24,25,27)/t19-/m1/s1