ethyl 6-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate CAS Name: 6-[4-[(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 6-[4-(5-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazino]nicotinic acid ethyl ester Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCC(C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)CCC(C4)C(C)(C)C

InChI

InChI=1S/C25H33N3O3S/c1-5-31-24(30)17-6-9-22(26-16-17)27-10-12-28(13-11-27)23(29)21-15-18-14-19(25(2,3)4)7-8-20(18)32-21/h6,9,15-16,19H,5,7-8,10-14H2,1-4H3