N-(4-ethoxyphenyl)-2-(2-pyrrolidin-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(2-pyrrolidin-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-p-phenetyl-2-[(2-pyrrolidinoacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CN4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCCC3)NC(=O)CN4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-2-30-18-12-10-17(11-13-18)25-23(29)22-19-8-4-3-5-9-20(19)31-24(22)26-21(28)16-27-14-6-7-15-27/h10-13H,2-9,14-16H2,1H3,(H,25,29)(H,26,28)