ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitro-indol-1-yl]acetate CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-nitro-1-indolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-4-nitroindol-1-yl]acetate Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-4-nitro-indol-1-yl]acetic acid ethyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=C1C=CC=C2[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=C1C=CC=C2[N+](=O)[O-])SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H17ClN2O4S/c1-3-26-17(23)11-21-12(2)19(27-14-9-7-13(20)8-10-14)18-15(21)5-4-6-16(18)22(24)25/h4-10H,3,11H2,1-2H3