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

Systemtic Name: methyl 6-tert-butyl-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H31NO3S2 MolecularWeight: 493.68064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H31NO3S2/c1-28(2,3)19-15-16-21-22(17-19)34-26(23(21)27(31)32-4)29-25(30)24(18-11-7-5-8-12-18)33-20-13-9-6-10-14-20/h5-14,19,24H,15-17H2,1-4H3,(H,29,30)