(3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Traditional Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-keto-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C[C@H](CC2=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-12(13-5-3-2-4-6-13)24-11-14(9-18(24)25)19(26)23-20-22-16-8-7-15(21)10-17(16)27-20/h2-8,10,12,14H,9,11H2,1H3,(H,22,23,26)/t12-,14+/m1/s1