ethyl 3-chloranyl-4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-nitrophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-[(4-nitrophenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[(4-nitrobenzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)13-5-8-16(15(19)9-13)20-17(22)11-27-10-12-3-6-14(7-4-12)21(24)25/h3-9H,2,10-11H2,1H3,(H,20,22)