2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-1-pyrrolidin-1-yl-butan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-1-pyrrolidin-1-yl-butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-1-pyrrolidin-1-yl-butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-1-(1-pyrrolidinyl)-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-1-pyrrolidin-1-ylbutan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-1-pyrrolidino-butan-1-one Formula: C16H21N3O3S2 MolecularWeight: 367.48624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S2/c1-23-11-8-13(16(20)19-9-4-5-10-19)17-15-12-6-2-3-7-14(12)24(21,22)18-15/h2-3,6-7,13H,4-5,8-11H2,1H3,(H,17,18)