ethyl 2-[[5-[(2-ethoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 2-[[5-[(2-ethoxyphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 2-[[5-[[(2-ethoxyphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 2-[[5-[(2-ethoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC=CC=C2OCC

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(S1)NC(=O)C2=CC=CC=C2OCC

InChI

InChI=1S/C17H21N3O4S2/c1-4-13(15(22)24-6-3)25-17-20-19-16(26-17)18-14(21)11-9-7-8-10-12(11)23-5-2/h7-10,13H,4-6H2,1-3H3,(H,18,19,21)