ethyl 4-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(4-methylphenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(4-methylphenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[[p-tolyl(2-thienyl)methyl]amino]ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC(C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-3-27-21(26)24-12-10-23(11-13-24)15-19(25)22-20(18-5-4-14-28-18)17-8-6-16(2)7-9-17/h4-9,14,20H,3,10-13,15H2,1-2H3,(H,22,25)