methyl 4-[(2-azanyl-1,3-thiazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(2-azanyl-1,3-thiazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2-aminothiazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(2-amino-5-thiazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2-aminothiazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C12H12N2O2S2 MolecularWeight: 280.36588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=CN=C(S2)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=CN=C(S2)N

InChI

InChI=1S/C12H12N2O2S2/c1-16-11(15)9-4-2-8(3-5-9)7-17-10-6-14-12(13)18-10/h2-6H,7H2,1H3,(H2,13,14)