ethyl 2-[[2-(oxolan-2-ylmethylamino)-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(oxolan-2-ylmethylamino)-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-phenyl-2-(tetrahydrofuran-2-ylmethylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(2-oxolanylmethylamino)-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(oxolan-2-ylmethylamino)-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-phenyl-2-(tetrahydrofurfurylamino)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)NCC4CCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)NCC4CCCO4

InChI

InChI=1S/C24H30N2O4S/c1-2-29-24(28)20-18-12-6-7-13-19(18)31-23(20)26-22(27)21(16-9-4-3-5-10-16)25-15-17-11-8-14-30-17/h3-5,9-10,17,21,25H,2,6-8,11-15H2,1H3,(H,26,27)