2-azanyl-6-ethoxycarbonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid

Systemtic Name: 2-azanyl-6-ethoxycarbonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid Openeye Name: 2-amino-6-ethoxycarbonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid CAS Name: 2-amino-6-ethoxycarbonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid IUPAC Name: 2-amino-6-ethoxycarbonyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3-carboxylic acid Traditional Name: 2-amino-6-carbethoxy-4,5,7,8-tetrahydrothien[2,3-d]azepine-3-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC2=C(CC1)SC(=C2C(=O)O)N

Isomeric SMILES

CCOC(=O)N1CCC2=C(CC1)SC(=C2C(=O)O)N

InChI

InChI=1S/C12H16N2O4S/c1-2-18-12(17)14-5-3-7-8(4-6-14)19-10(13)9(7)11(15)16/h2-6,13H2,1H3,(H,15,16)