ethyl 4-[2-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-oxidanylidene-3-(1,3-thiazol-2-ylamino)propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-oxo-3-(thiazol-2-ylamino)propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-oxo-3-(2-thiazolylamino)propyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-keto-3-(thiazol-2-ylamino)propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)NC2=NC=CS2

InChI

InChI=1S/C17H19N3O4S2/c1-2-24-16(23)12-3-5-13(6-4-12)19-15(22)11-25-9-7-14(21)20-17-18-8-10-26-17/h3-6,8,10H,2,7,9,11H2,1H3,(H,19,22)(H,18,20,21)