methyl 4-[[5-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-[(3-bromo-4-methoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-[(3-bromo-4-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(3-bromo-4-methoxy-benzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C19H16BrN3O4S2 MolecularWeight: 494.38204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)OC)Br

InChI

InChI=1S/C19H16BrN3O4S2/c1-26-15-8-7-13(9-14(15)20)16(24)21-18-22-23-19(29-18)28-10-11-3-5-12(6-4-11)17(25)27-2/h3-9H,10H2,1-2H3,(H,21,22,24)