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

Systemtic Name: 2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethanoyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Openeye Name: 2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-acetyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid CAS Name: 2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-1,2-dioxoethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid IUPAC Name: 2-[[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoacetyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Traditional Name: 2-[[2-(4-carbethoxypiperazino)-2-keto-acetyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid Formula: C19H25N3O7S MolecularWeight: 439.4827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O7S/c1-4-28-18(27)22-7-5-21(6-8-22)16(24)14(23)20-15-13(17(25)26)11-9-19(2,3)29-10-12(11)30-15/h4-10H2,1-3H3,(H,20,23)(H,25,26)