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

Systemtic Name: propan-2-yl 4-[(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c1-16(2)32-26(31)18-12-14-19(15-13-18)27-24(30)22-20-10-6-7-11-21(20)33-25(22)28-23(29)17-8-4-3-5-9-17/h3-5,8-9,12-16H,6-7,10-11H2,1-2H3,(H,27,30)(H,28,29)