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

Systemtic Name: ethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3,4-dimethoxyphenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,4-dimethoxyphenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H27NO5S2/c1-5-28-22(25)19-15-8-6-7-9-18(15)30-21(19)23-20(24)13(2)29-14-10-11-16(26-3)17(12-14)27-4/h10-13H,5-9H2,1-4H3,(H,23,24)