methyl 2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-pyrrolidin-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-pyrrolidin-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-pyrrolidinoacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3CCCC3

InChI

InChI=1S/C16H22N2O3S/c1-21-16(20)14-11-6-2-3-7-12(11)22-15(14)17-13(19)10-18-8-4-5-9-18/h2-10H2,1H3,(H,17,19)