N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-phenethyl-pyrrolidine-3-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-pyrrolidine-3-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethyl-3-pyrrolidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxo-1-phenethylpyrrolidine-3-carboxamide Traditional Name: 5-keto-N-(6-methyl-1,3-benzothiazol-2-yl)-1-phenethyl-pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-14-7-8-17-18(11-14)27-21(22-17)23-20(26)16-12-19(25)24(13-16)10-9-15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,22,23,26)