2-dimethylaminoethyl 4-[2-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanoylamino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[2-[(5E)-4-oxidanylidene-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethanoylamino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[[2-[(5E)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-3-thiazolidinyl]ethyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5E)-4-keto-5-(2-thenylidene)-2-thioxo-thiazolidin-3-yl]acetyl]amino]benzoic acid 2-dimethylaminoethyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CS3)SC2=S

Isomeric SMILES

CN(C)CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=S

InChI

InChI=1S/C21H21N3O4S3/c1-23(2)9-10-28-20(27)14-5-7-15(8-6-14)22-18(25)13-24-19(26)17(31-21(24)29)12-16-4-3-11-30-16/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,25)/b17-12+