[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-chlorophenyl)-2-thiophenecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-chlorophenyl)thiophene-2-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H12ClNO3S MolecularWeight: 333.78938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=CC=C(S1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H12ClNO3S/c1-2-9-18-15(19)10-21-16(20)14-8-7-13(22-14)11-3-5-12(17)6-4-11/h1,3-8H,9-10H2,(H,18,19)