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

Systemtic Name: methyl 4-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-acetamido-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid methyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O4S/c1-13(26)24-21-19(17-11-8-15(23(2,3)4)12-18(17)30-21)20(27)25-16-9-6-14(7-10-16)22(28)29-5/h6-7,9-10,15H,8,11-12H2,1-5H3,(H,24,26)(H,25,27)