methyl 4-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN2O4S/c1-27-20(26)13-8-6-12(7-9-13)10-22-16(24)11-23-19(25)18-17(21)14-4-2-3-5-15(14)28-18/h2-9H,10-11H2,1H3,(H,22,24)(H,23,25)