[2-(methylamino)-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[(3-methyl-1-oxobut-2-enyl)amino]-4-phenyl-3-thiophenecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC)C

Isomeric SMILES

CC(=CC(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC(=O)NC)C

InChI

InChI=1S/C19H20N2O4S/c1-12(2)9-15(22)21-18-17(19(24)25-10-16(23)20-3)14(11-26-18)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,20,23)(H,21,22)