ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-yl-methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-pyridinyl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-acetamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-pyridin-3-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(2-acetamido-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(C2=CN=CC=C2)C3=C(SC4=C3CCCC4)NC(=O)C

InChI

InChI=1S/C23H30N4O3S/c1-3-30-23(29)27-13-11-26(12-14-27)21(17-7-6-10-24-15-17)20-18-8-4-5-9-19(18)31-22(20)25-16(2)28/h6-7,10,15,21H,3-5,8-9,11-14H2,1-2H3,(H,25,28)