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

Systemtic Name: ethyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-phenyl-2-(phenylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H33NO3S2 MolecularWeight: 507.70722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C29H33NO3S2/c1-5-33-28(32)24-22-17-16-20(29(2,3)4)18-23(22)35-27(24)30-26(31)25(19-12-8-6-9-13-19)34-21-14-10-7-11-15-21/h6-15,20,25H,5,16-18H2,1-4H3,(H,30,31)