tert-butyl 4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28N2O3S/c1-13-5-6-15-14(11-13)12-16(25-15)17(22)20-7-9-21(10-8-20)18(23)24-19(2,3)4/h12-13H,5-11H2,1-4H3