ethyl 2-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylethanoate

Systemtic Name: ethyl 2-(4-chloranyl-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylethanoate Openeye Name: ethyl 2-(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)sulfanylacetate CAS Name: 2-[[4-chloro-2-nitro-5-(1-pyrrolyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-chloro-2-nitro-5-pyrrol-1-ylphenyl)sulfanylacetate Traditional Name: 2-[(4-chloro-2-nitro-5-pyrrol-1-yl-phenyl)thio]acetic acid ethyl ester Formula: C14H13ClN2O4S MolecularWeight: 340.78202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C=C(C(=C1)N2C=CC=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CSC1=C(C=C(C(=C1)N2C=CC=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H13ClN2O4S/c1-2-21-14(18)9-22-13-8-11(16-5-3-4-6-16)10(15)7-12(13)17(19)20/h3-8H,2,9H2,1H3