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

Systemtic Name: methyl 4-[2-[2-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]ethanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]ethyl]benzoate CAS Name: 4-[2-[[2-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-oxoethyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetyl]amino]ethyl]benzoate Traditional Name: 4-[2-[[2-[(3-chlorobenzothiophene-2-carbonyl)amino]acetyl]amino]ethyl]benzoic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-28-21(27)14-8-6-13(7-9-14)10-11-23-17(25)12-24-20(26)19-18(22)15-4-2-3-5-16(15)29-19/h2-9H,10-12H2,1H3,(H,23,25)(H,24,26)