methyl 4-chloranyl-2-[2-[3-(thiophen-3-ylmethyl)phenyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[2-[3-(thiophen-3-ylmethyl)phenyl]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[2-[3-(3-thienylmethyl)phenyl]acetyl]amino]benzoate CAS Name: 4-chloro-2-[[1-oxo-2-[3-(3-thiophenylmethyl)phenyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[2-[3-(thiophen-3-ylmethyl)phenyl]acetyl]amino]benzoate Traditional Name: 4-chloro-2-[[2-[3-(3-thenyl)phenyl]acetyl]amino]benzoic acid methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CC2=CC=CC(=C2)CC3=CSC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CC2=CC=CC(=C2)CC3=CSC=C3

InChI

InChI=1S/C21H18ClNO3S/c1-26-21(25)18-6-5-17(22)12-19(18)23-20(24)11-15-4-2-3-14(9-15)10-16-7-8-27-13-16/h2-9,12-13H,10-11H2,1H3,(H,23,24)