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

Systemtic Name: ethyl 4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4S/c1-2-31-25(30)17-12-14-18(15-13-17)26-23(29)21-19-10-6-7-11-20(19)32-24(21)27-22(28)16-8-4-3-5-9-16/h3-5,8-9,12-15H,2,6-7,10-11H2,1H3,(H,26,29)(H,27,28)