N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-ethylphenyl)-5-keto-pyrrolidine-3-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-2-12-3-6-15(7-4-12)24-11-13(9-18(24)25)19(26)23-20-22-16-8-5-14(21)10-17(16)27-20/h3-8,10,13H,2,9,11H2,1H3,(H,22,23,26)