2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-pyrrolidino-butan-1-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N3O3S/c1-11(2)14(16(20)19-9-5-6-10-19)17-15-12-7-3-4-8-13(12)23(21,22)18-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,17,18)