ethyl 4-[2-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[[5-[(2-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[5-(o-toluidino)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]butyric acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=C(S1)NC2=CC=CC=C2C

InChI

InChI=1S/C17H22N4O3S2/c1-3-24-15(23)9-6-10-18-14(22)11-25-17-21-20-16(26-17)19-13-8-5-4-7-12(13)2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,18,22)(H,19,20)