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

Systemtic Name: methyl 2-[[6-tert-butyl-2-(2-phenylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoate CAS Name: 2-[[[6-tert-butyl-2-[(1-oxo-2-phenylethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]benzoate Traditional Name: 2-[[6-tert-butyl-2-[(2-phenylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]amino]benzoic acid methyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3=CC=CC=C3C(=O)OC)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4S/c1-29(2,3)19-14-15-21-23(17-19)36-27(31-24(32)16-18-10-6-5-7-11-18)25(21)26(33)30-22-13-9-8-12-20(22)28(34)35-4/h5-13,19H,14-17H2,1-4H3,(H,30,33)(H,31,32)