2-(pyrrolidin-1-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Systemtic Name: 2-(pyrrolidin-1-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Openeye Name: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid CAS Name: 2-[[oxo(1-pyrrolidinyl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid IUPAC Name: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Traditional Name: 2-(pyrrolidine-1-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)N3CCCC3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)N3CCCC3)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c17-13(18)11-9-5-1-2-6-10(9)20-12(11)15-14(19)16-7-3-4-8-16/h1-8H2,(H,15,19)(H,17,18)