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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-4-5-11-23-19(26)13-28-22(27)20-17(16-9-7-6-8-10-16)14-29-21(20)24-18(25)12-15(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,23,26)(H,24,25)