2-[(4-ethoxycarbonylpiperazin-1-yl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid

Systemtic Name: 2-[(4-ethoxycarbonylpiperazin-1-yl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-[[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-[(4-carbethoxypiperazine-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)O

InChI

InChI=1S/C18H25N3O6S/c1-4-26-17(25)21-7-5-20(6-8-21)16(24)19-14-13(15(22)23)11-9-18(2,3)27-10-12(11)28-14/h4-10H2,1-3H3,(H,19,24)(H,22,23)