N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)NC(=O)C)C

InChI

InChI=1S/C22H22N4O3S/c1-12-5-4-6-18(13(12)2)26-11-15(9-20(26)28)21(29)25-22-24-17-8-7-16(23-14(3)27)10-19(17)30-22/h4-8,10,15H,9,11H2,1-3H3,(H,23,27)(H,24,25,29)