(phenylmethyl) 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate CAS Name: 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-5-oxo-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate Traditional Name: 2-keto-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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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)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H23N3O4S/c1-17-7-12-21-23(15-17)35-26(29-21)19-8-10-20(11-9-19)28-25(32)22-13-14-24(31)30(22)27(33)34-16-18-5-3-2-4-6-18/h2-12,15,22H,13-14,16H2,1H3,(H,28,32)