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

Systemtic Name: methyl 4-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]benzoate CAS Name: 4-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]benzoic acid methyl ester Formula: C19H15ClN2O4S MolecularWeight: 402.8514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O4S/c1-26-19(25)11-6-8-12(9-7-11)22-15(23)10-21-18(24)17-16(20)13-4-2-3-5-14(13)27-17/h2-9H,10H2,1H3,(H,21,24)(H,22,23)