phenyl (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: phenyl (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: phenyl (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCCN4C(=O)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H]4CCCN4C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-17-9-14-21-23(16-17)33-25(28-21)18-10-12-19(13-11-18)27-24(30)22-8-5-15-29(22)26(31)32-20-6-3-2-4-7-20/h2-4,6-7,9-14,16,22H,5,8,15H2,1H3,(H,27,30)/t22-/m1/s1