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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(isopropylamino)-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-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(3-methylbut-2-enoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=C(C)C

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C=C(C)C

InChI

InChI=1S/C21H24N2O4S/c1-13(2)10-17(24)23-20-19(21(26)27-11-18(25)22-14(3)4)16(12-28-20)15-8-6-5-7-9-15/h5-10,12,14H,11H2,1-4H3,(H,22,25)(H,23,24)