ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-(4-ethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-benzamido-4,5-dimethyl-thiophen-3-yl)-(4-ethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-(4-ethoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-benzamido-4,5-dimethyl-3-thiophenyl)-(4-ethoxyphenyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzamido-4,5-dimethylthiophen-3-yl)-(4-ethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-benzamido-4,5-dimethyl-3-thienyl)-p-phenetyl-methyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=C(SC(=C2C)C)NC(=O)C3=CC=CC=C3)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C29H35N3O4S/c1-5-35-24-14-12-22(13-15-24)26(31-16-18-32(19-17-31)29(34)36-6-2)25-20(3)21(4)37-28(25)30-27(33)23-10-8-7-9-11-23/h7-15,26H,5-6,16-19H2,1-4H3,(H,30,33)