ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-methylphenoxy)butanoylamino]-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:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCOC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCCOC3=CC=CC=C3C

InChI

InChI=1S/C22H27NO4S/c1-3-26-22(25)20-16-10-5-7-12-18(16)28-21(20)23-19(24)13-8-14-27-17-11-6-4-9-15(17)2/h4,6,9,11H,3,5,7-8,10,12-14H2,1-2H3,(H,23,24)