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

Systemtic Name: methyl 2-[2-(3,4-diethoxyphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-diethoxyphenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OCC

InChI

InChI=1S/C22H27NO5S/c1-4-27-16-11-10-14(12-17(16)28-5-2)13-19(24)23-21-20(22(25)26-3)15-8-6-7-9-18(15)29-21/h10-12H,4-9,13H2,1-3H3,(H,23,24)