ethyl 4-[3-(3-azanyl-2-oxidanyl-propoxy)phenyl]-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: ethyl 4-[3-(3-azanyl-2-oxidanyl-propoxy)phenyl]-1,2,3-thiadiazole-5-carboxylate Openeye Name: ethyl 4-[3-(3-amino-2-hydroxy-propoxy)phenyl]thiadiazole-5-carboxylate CAS Name: 4-[3-(3-amino-2-hydroxypropoxy)phenyl]-5-thiadiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-amino-2-hydroxypropoxy)phenyl]thiadiazole-5-carboxylate Traditional Name: 4-[3-(3-amino-2-hydroxy-propoxy)phenyl]thiadiazole-5-carboxylic acid ethyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NS1)C2=CC(=CC=C2)OCC(CN)O

Isomeric SMILES

CCOC(=O)C1=C(N=NS1)C2=CC(=CC=C2)OCC(CN)O

InChI

InChI=1S/C14H17N3O4S/c1-2-20-14(19)13-12(16-17-22-13)9-4-3-5-11(6-9)21-8-10(18)7-15/h3-6,10,18H,2,7-8,15H2,1H3