[2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate CAS Name: 5-(1,3-benzothiazol-2-yl)-2-thiophenecarboxylic acid [2-oxo-2-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate Traditional Name: 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid [2-keto-2-[2-(2-thienyl)ethylcarbamoylamino]ethyl] ester Formula: C21H17N3O4S3 MolecularWeight: 471.57238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(S3)C(=O)OCC(=O)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H17N3O4S3/c25-18(24-21(27)22-10-9-13-4-3-11-29-13)12-28-20(26)17-8-7-16(30-17)19-23-14-5-1-2-6-15(14)31-19/h1-8,11H,9-10,12H2,(H2,22,24,25,27)