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

Systemtic Name: ethyl 2-[[(2R)-2-acetyloxy-2-phenyl-ethanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(2R)-2-acetoxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2R)-2-acetyloxy-1-oxo-2-phenylethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2R)-2-acetyloxy-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(2R)-2-acetoxy-2-phenyl-acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@@H](C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C21H23NO5S/c1-3-26-21(25)17-15-11-7-8-12-16(15)28-20(17)22-19(24)18(27-13(2)23)14-9-5-4-6-10-14/h4-6,9-10,18H,3,7-8,11-12H2,1-2H3,(H,22,24)/t18-/m1/s1