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

Systemtic Name: methyl 2-[3-(4-tert-butylphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[3-(4-tert-butylphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(4-tert-butylphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(4-tert-butylphenyl)propanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)CCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H31NO3S/c1-15-6-12-18-19(14-15)29-22(21(18)23(27)28-5)25-20(26)13-9-16-7-10-17(11-8-16)24(2,3)4/h7-8,10-11,15H,6,9,12-14H2,1-5H3,(H,25,26)