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

Systemtic Name: ethyl 4-[(R)-(2-benzamido-4,5-dimethyl-thiophen-3-yl)-pyridin-3-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(R)-(2-benzamido-4,5-dimethyl-3-thienyl)-(3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(R)-(2-benzamido-4,5-dimethyl-3-thiophenyl)-(3-pyridinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(R)-(2-benzamido-4,5-dimethylthiophen-3-yl)-pyridin-3-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(R)-(2-benzamido-4,5-dimethyl-3-thienyl)-(3-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H](C2=CN=CC=C2)C3=C(SC(=C3C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-4-33-26(32)30-15-13-29(14-16-30)23(21-11-8-12-27-17-21)22-18(2)19(3)34-25(22)28-24(31)20-9-6-5-7-10-20/h5-12,17,23H,4,13-16H2,1-3H3,(H,28,31)/t23-/m1/s1