ethyl 2-[2-[4-(1,3-dithiolan-2-yl)phenyl]carbonyloxyethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(1,3-dithiolan-2-yl)phenyl]carbonyloxyethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1,3-dithiolan-2-yl)benzoyl]oxyacetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S3 MolecularWeight: 465.60602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)C(=O)OCC

InChI

InChI=1S/C21H23NO5S3/c1-3-15-11-16(20(25)26-4-2)18(30-15)22-17(23)12-27-19(24)13-5-7-14(8-6-13)21-28-9-10-29-21/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,22,23)