N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[2-(3-methylphenoxy)propanoyl]pyrrolidine-2-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)N2CCCC2C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-14-7-5-8-16(13-14)28-15(2)21(27)25-12-6-10-18(25)20(26)24-22-23-17-9-3-4-11-19(17)29-22/h3-5,7-9,11,13,15,18H,6,10,12H2,1-2H3,(H,23,24,26)