ethyl 2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-isopropylsulfanylphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[4-(isopropylthio)phenyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H27NO3S2 MolecularWeight: 417.58468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=C(C=C3)SC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC3=CC=C(C=C3)SC(C)C

InChI

InChI=1S/C22H27NO3S2/c1-4-26-22(25)20-17-7-5-6-8-18(17)28-21(20)23-19(24)13-15-9-11-16(12-10-15)27-14(2)3/h9-12,14H,4-8,13H2,1-3H3,(H,23,24)