N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-[3-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-5-keto-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC

InChI

InChI=1S/C21H21N3O2S2/c1-3-13-7-8-17-18(9-13)28-21(22-17)23-20(26)14-10-19(25)24(12-14)15-5-4-6-16(11-15)27-2/h4-9,11,14H,3,10,12H2,1-2H3,(H,22,23,26)