ethyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]benzoate CAS Name: 3-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate Traditional Name: 3-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]benzoic acid ethyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-2-27-20(26)12-6-5-7-13(10-12)23-16(24)11-22-19(25)18-17(21)14-8-3-4-9-15(14)28-18/h3-10H,2,11H2,1H3,(H,22,25)(H,23,24)