2-[(4-ethoxycarbonylpiperazin-1-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(4-ethoxycarbonylpiperazin-1-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-carbethoxypiperazine-1-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C17H22N3O5S- MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)[O-]

InChI

InChI=1S/C17H23N3O5S/c1-2-25-17(24)20-9-7-19(8-10-20)16(23)18-14-13(15(21)22)11-5-3-4-6-12(11)26-14/h2-10H2,1H3,(H,18,23)(H,21,22)/p-1