ethyl 6-methyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(1-oxo-2-phenoxybutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(2-phenoxybutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC)OC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C)C(=O)OCC)OC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-4-17(27-15-9-7-6-8-10-15)20(24)23-21-19(22(25)26-5-2)16-12-11-14(3)13-18(16)28-21/h6-10,14,17H,4-5,11-13H2,1-3H3,(H,23,24)