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

Systemtic Name: ethyl 2-[(1S)-2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[(1S)-2-(2-chloro-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylacetate CAS Name: 2-[[(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanylacetate Traditional Name: 2-[[(1S)-2-(2-chloro-4-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=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O5S/c1-2-26-16(22)11-27-17(12-6-4-3-5-7-12)18(23)20-15-9-8-13(21(24)25)10-14(15)19/h3-10,17H,2,11H2,1H3,(H,20,23)/t17-/m0/s1