ethyl 2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-phenyl-2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H25NO3S2 MolecularWeight: 451.6009

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25NO3S2/c1-2-29-25(28)21-19-15-9-10-16-20(19)31-24(21)26-23(27)22(17-11-5-3-6-12-17)30-18-13-7-4-8-14-18/h3-8,11-14,22H,2,9-10,15-16H2,1H3,(H,26,27)