[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(3-methylbut-2-enoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-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-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-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-(3-methylpiperidino)ethyl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(SC=C2C3=CC=CC=C3)NC(=O)C=C(C)C

InChI

InChI=1S/C24H28N2O4S/c1-16(2)12-20(27)25-23-22(19(15-31-23)18-9-5-4-6-10-18)24(29)30-14-21(28)26-11-7-8-17(3)13-26/h4-6,9-10,12,15,17H,7-8,11,13-14H2,1-3H3,(H,25,27)