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

Systemtic Name: methyl 2-[4-(2-methoxyphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-methoxyphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(2-methoxyphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-methoxyphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(2-methoxyphenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C21H25NO5S/c1-25-15-9-4-5-10-16(15)27-13-7-12-18(23)22-20-19(21(24)26-2)14-8-3-6-11-17(14)28-20/h4-5,9-10H,3,6-8,11-13H2,1-2H3,(H,22,23)