methyl 2-[[6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 2-[[[6-tert-butyl-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-tert-butyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 2-[(6-tert-butyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H30N2O4S/c1-6-19(27)26-22-20(16-12-11-14(24(2,3)4)13-18(16)31-22)21(28)25-17-10-8-7-9-15(17)23(29)30-5/h7-10,14H,6,11-13H2,1-5H3,(H,25,28)(H,26,27)