methyl 4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(3-phenyl-1,2,4-thiadiazol-5-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NS2)C3=CC=CC=C3

InChI

InChI=1S/C18H15N3O3S2/c1-24-17(23)13-7-9-14(10-8-13)19-15(22)11-25-18-20-16(21-26-18)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,22)