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

Systemtic Name: methyl 2-[(2-benzamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: methyl 2-[(2-benzamido-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 2-[[(2-benzamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzamido-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 2-[(2-benzamido-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid methyl ester Formula: C28H30N2O4S MolecularWeight: 490.6138

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O4S/c1-28(2,3)18-14-15-20-22(16-18)35-26(30-24(31)17-10-6-5-7-11-17)23(20)25(32)29-21-13-9-8-12-19(21)27(33)34-4/h5-13,18H,14-16H2,1-4H3,(H,29,32)(H,30,31)