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

Systemtic Name: (3S)-1-(4-ethylphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-(4-ethylphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(4-ethylphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-(4-ethylphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-(4-ethylphenyl)-5-keto-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC4=C(C=C3)N=C(S4)C

InChI

InChI=1S/C21H21N3O2S/c1-3-14-4-7-17(8-5-14)24-12-15(10-20(24)25)21(26)23-16-6-9-18-19(11-16)27-13(2)22-18/h4-9,11,15H,3,10,12H2,1-2H3,(H,23,26)/t15-/m0/s1