ethyl 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxobutyl)amino]-4-methyl-5-(4-phenyl-1-piperazinyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazin-1-yl)thiophene-3-carboxylate Traditional Name: 2-(2-ethylbutanoylamino)-4-methyl-5-(4-phenylpiperazino)thiophene-3-carboxylic acid ethyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)N2CCN(CC2)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C24H33N3O3S/c1-5-18(6-2)21(28)25-22-20(24(29)30-7-3)17(4)23(31-22)27-15-13-26(14-16-27)19-11-9-8-10-12-19/h8-12,18H,5-7,13-16H2,1-4H3,(H,25,28)