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

Systemtic Name: cyclohexyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: cyclohexyl 4-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoate CAS Name: 4-[[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-oxomethyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate Traditional Name: 4-[(2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)amino]benzoic acid cyclohexyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=C(SC4=C3CCCC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O4S/c32-26(19-9-3-1-4-10-19)31-28-25(23-13-7-8-14-24(23)36-28)27(33)30-21-17-15-20(16-18-21)29(34)35-22-11-5-2-6-12-22/h1,3-4,9-10,15-18,22H,2,5-8,11-14H2,(H,30,33)(H,31,32)