[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OCC(=O)NCC#C)N2C=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OCC(=O)NCC#C)N2C=CC=C2)C

InChI

InChI=1S/C16H16N2O3S/c1-4-7-17-13(19)10-21-16(20)14-11(2)12(3)22-15(14)18-8-5-6-9-18/h1,5-6,8-9H,7,10H2,2-3H3,(H,17,19)