(2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-prop-2-enyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-prop-2-enyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-allyl-1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-prop-2-enyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-prop-2-enylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-allyl-1-(1,1-diketo-1,2-benzothiazol-3-yl)pyrrolidine-2-carboxamide Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C=CCNC(=O)[C@@H]1CCCN1C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H17N3O3S/c1-2-9-16-15(19)12-7-5-10-18(12)14-11-6-3-4-8-13(11)22(20,21)17-14/h2-4,6,8,12H,1,5,7,9-10H2,(H,16,19)/t12-/m0/s1