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

Systemtic Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-acetamidophenyl)thio]-1-oxopropyl]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-acetamidophenyl)sulfanylpropanoylamino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-[(3-acetamidophenyl)thio]propanoylamino]-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H32N2O4S2 MolecularWeight: 488.66258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)OC)SC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C25H32N2O4S2/c1-14(32-18-9-7-8-17(13-18)26-15(2)28)22(29)27-23-21(24(30)31-6)19-11-10-16(25(3,4)5)12-20(19)33-23/h7-9,13-14,16H,10-12H2,1-6H3,(H,26,28)(H,27,29)