methyl 6-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-tert-butyl-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[[2-[(4-chlorophenyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H26ClNO3S2 MolecularWeight: 452.02974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNO3S2/c1-22(2,3)13-5-10-16-17(11-13)29-20(19(16)21(26)27-4)24-18(25)12-28-15-8-6-14(23)7-9-15/h6-9,13H,5,10-12H2,1-4H3,(H,24,25)