3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[(1,1-dioxothiolan-3-yl)-methyl-amino]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[(1,1-dioxo-3-thiolanyl)-methylamino]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[(1,1-diketothiolan-3-yl)-methyl-amino]propionamide Formula: C13H17N3O3S2 MolecularWeight: 327.42238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)C2CCS(=O)(=O)C2

InChI

InChI=1S/C13H17N3O3S2/c1-16(11-4-7-21(18,19)9-11)5-2-12(17)15-13-10(8-14)3-6-20-13/h3,6,11H,2,4-5,7,9H2,1H3,(H,15,17)