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

Systemtic Name: (3S)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: (3S)-1-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-benzyl-N-(6-chloro-1,3-benzothiazol-2-yl)-5-keto-pyrrolidine-3-carboxamide Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C19H16ClN3O2S/c20-14-6-7-15-16(9-14)26-19(21-15)22-18(25)13-8-17(24)23(11-13)10-12-4-2-1-3-5-12/h1-7,9,13H,8,10-11H2,(H,21,22,25)/t13-/m0/s1