2-[5-methyl-5-[(Z)-(2-methyl-1,2-thiazolidin-5-ylidene)methyl]-6-oxidanylidene-2-sulfanylidene-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-5-[(Z)-(2-methyl-1,2-thiazolidin-5-ylidene)methyl]-6-oxidanylidene-2-sulfanylidene-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]ethanoic acid Openeye Name: 2-[5-methyl-5-[(Z)-(2-methylisothiazolidin-5-ylidene)methyl]-6-oxo-2-thioxo-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]acetic acid CAS Name: 2-[5-methyl-5-[(Z)-(2-methyl-5-isothiazolidinylidene)methyl]-6-oxo-2-sulfanylidene-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]acetic acid IUPAC Name: 2-[5-methyl-5-[(Z)-(2-methyl-1,2-thiazolidin-5-ylidene)methyl]-6-oxo-2-sulfanylidene-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]acetic acid Traditional Name: 2-[6-keto-5-methyl-5-[(Z)-(2-methylisothiazolidin-5-ylidene)methyl]-2-thioxo-3-thia-1-azoniabicyclo[2.1.1]hexan-1-yl]acetic acid Formula: C12H15N2O3S3+ MolecularWeight: 331.4541

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C(=O)[N+]1(C(=S)S2)CC(=O)O)C=C3CCN(S3)C

Isomeric SMILES

CC1(C2C(=O)[N+]1(C(=S)S2)CC(=O)O)/C=C\3/CCN(S3)C

InChI

InChI=1S/C12H14N2O3S3/c1-12(5-7-3-4-13(2)20-7)9-10(17)14(12,6-8(15)16)11(18)19-9/h5,9H,3-4,6H2,1-2H3/p+1/b7-5-