methyl 4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(S2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O3S2/c1-28-21(27)17-9-7-16(8-10-17)15-30-23-26-25-22(31-23)24-18-11-13-20(14-12-18)29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,24,25)