methyl 2-[2-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[2-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-4-bromanyl-phenoxy]ethanoate Openeye Name: methyl 2-[2-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-4-bromo-phenoxy]acetate CAS Name: 2-[2-[(2-amino-4-oxo-5-thiazolylidene)methyl]-4-bromophenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-4-bromophenoxy]acetate Traditional Name: 2-[2-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-4-bromo-phenoxy]acetic acid methyl ester Formula: C13H11BrN2O4S MolecularWeight: 371.20644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=O)N=C(S2)N

Isomeric SMILES

COC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=O)N=C(S2)N

InChI

InChI=1S/C13H11BrN2O4S/c1-19-11(17)6-20-9-3-2-8(14)4-7(9)5-10-12(18)16-13(15)21-10/h2-5H,6H2,1H3,(H2,15,16,18)