2-[2-(2-methoxyethylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-[2-(2-methoxyethylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[2-(2-methoxyethylthio)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-[[2-(2-methoxyethylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

COCCSCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

Isomeric SMILES

COCCSCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)O

InChI

InChI=1S/C14H19NO4S2/c1-19-6-7-20-8-11(16)15-13-12(14(17)18)9-4-2-3-5-10(9)21-13/h2-8H2,1H3,(H,15,16)(H,17,18)