ethyl 4-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[4-(2,4-dimethylphenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[3-carbethoxy-4-(2,4-dimethylphenyl)-2-thienyl]amino]-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C24H31N3O5S/c1-5-31-23(29)21-19(18-8-7-16(3)13-17(18)4)15-33-22(21)25-20(28)14-26-9-11-27(12-10-26)24(30)32-6-2/h7-8,13,15H,5-6,9-12,14H2,1-4H3,(H,25,28)