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

Systemtic Name: methyl 4-[2-[[5-[(3,4-dimethylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20N4O3S2/c1-12-4-7-16(10-13(12)2)22-19-23-24-20(29-19)28-11-17(25)21-15-8-5-14(6-9-15)18(26)27-3/h4-10H,11H2,1-3H3,(H,21,25)(H,22,23)