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

Systemtic Name: ethyl 2-[[4-(4-methylphenoxy)-4-oxidanylidene-butanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-methylphenoxy)-4-oxo-butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-methylphenoxy)-1,4-dioxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-methylphenoxy)-4-oxobutanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-keto-4-(4-methylphenoxy)butanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)OC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)OC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25NO5S/c1-3-27-22(26)20-16-6-4-5-7-17(16)29-21(20)23-18(24)12-13-19(25)28-15-10-8-14(2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,23,24)