ethyl 2-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-(4-chloro-3-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylacetate CAS Name: 2-[[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-3-nitroanilino)-2-oxo-1-phenylethyl]sulfanylacetate Traditional Name: 2-[[2-(4-chloro-3-nitro-anilino)-2-keto-1-phenyl-ethyl]thio]acetic acid ethyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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