butyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(3S)-1,1-dioxo-3-thiolanyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(3S)-1,1-dioxothiolan-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[(3S)-1,1-diketothiolan-3-yl]thio]acetyl]amino]benzoic acid butyl ester Formula: C17H23NO5S2 MolecularWeight: 385.49822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2CCS(=O)(=O)C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CS[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C17H23NO5S2/c1-2-3-9-23-17(20)13-4-6-14(7-5-13)18-16(19)11-24-15-8-10-25(21,22)12-15/h4-7,15H,2-3,8-12H2,1H3,(H,18,19)/t15-/m0/s1