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

Systemtic Name: ethyl 6-methyl-2-[(2-pentanoyloxy-2-phenyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(2-pentanoyloxy-2-phenyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[1-oxo-2-(1-oxopentoxy)-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(2-pentanoyloxy-2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(2-phenyl-2-valeryloxy-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C25H31NO5S/c1-4-6-12-20(27)31-22(17-10-8-7-9-11-17)23(28)26-24-21(25(29)30-5-2)18-14-13-16(3)15-19(18)32-24/h7-11,16,22H,4-6,12-15H2,1-3H3,(H,26,28)