2-(3-bromanylphenoxy)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C19H15BrN2O5S2 MolecularWeight: 495.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H15BrN2O5S2/c1-12-11-28-19(21-12)29-17-6-5-14(22(24)25)10-16(17)18(23)27-8-7-26-15-4-2-3-13(20)9-15/h2-6,9-11H,7-8H2,1H3