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

Systemtic Name: ethyl 4-[2-[[5-[(3-methylphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[5-(m-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(=C2)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN=C(S1)NC2=CC=CC(=C2)C

InChI

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