2-[(2-ethoxy-2-oxidanylidene-ethanoyl)-methyl-amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[(2-ethoxy-2-oxidanylidene-ethanoyl)-methyl-amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[(2-ethoxy-2-oxo-acetyl)-methyl-amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[(2-ethoxy-1,2-dioxoethyl)-methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[(2-ethoxy-2-oxoacetyl)-methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[ethoxalyl(methyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

CCOC(=O)C(=O)N(C)C1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C14H17NO5S/c1-3-20-14(19)11(16)15(2)12-10(13(17)18)8-6-4-5-7-9(8)21-12/h3-7H2,1-2H3,(H,17,18)