ethyl 2-[5-(2-phenylsulfanylethanoylamino)-1,3,4-thiadiazol-2-yl]ethanoate

Systemtic Name: ethyl 2-[5-(2-phenylsulfanylethanoylamino)-1,3,4-thiadiazol-2-yl]ethanoate Openeye Name: ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate CAS Name: 2-[5-[[1-oxo-2-(phenylthio)ethyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate Traditional Name: 2-[5-[[2-(phenylthio)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NN=C(S1)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C14H15N3O3S2/c1-2-20-13(19)8-12-16-17-14(22-12)15-11(18)9-21-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,17,18)