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

Systemtic Name: methyl 6-tert-butyl-2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-tert-butyl-2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[3-(3-chlorophenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-tert-butyl-2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[3-(3-chlorophenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28ClNO3S MolecularWeight: 433.99132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H28ClNO3S/c1-23(2,3)15-9-10-17-18(13-15)29-21(20(17)22(27)28-4)25-19(26)11-8-14-6-5-7-16(24)12-14/h5-7,12,15H,8-11,13H2,1-4H3,(H,25,26)