ethanedioic acid; ethyl 2-azanyl-6-ethyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-azanyl-6-ethyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylate Openeye Name: ethyl 2-amino-6-ethyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylate; oxalic acid CAS Name: 2-amino-6-ethyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-amino-6-ethyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylate; oxalic acid Traditional Name: 2-amino-6-ethyl-4,5,7,8-tetrahydrothien[2,3-d]azepine-3-carboxylic acid ethyl ester; oxalic acid Formula: C15H22N2O6S MolecularWeight: 358.40998

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(CC1)SC(=C2C(=O)OCC)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC2=C(CC1)SC(=C2C(=O)OCC)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O2S.C2H2O4/c1-3-15-7-5-9-10(6-8-15)18-12(14)11(9)13(16)17-4-2;3-1(4)2(5)6/h3-8,14H2,1-2H3;(H,3,4)(H,5,6)