ethyl 4-[2-oxidanyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate

Systemtic Name: ethyl 4-[2-oxidanyl-3-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]benzoate Openeye Name: ethyl 4-[3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[3-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[3-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(S2)NC3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(CSC2=NN=C(S2)NC3=CC=CC=C3)O

InChI

InChI=1S/C20H21N3O4S2/c1-2-26-18(25)14-8-10-17(11-9-14)27-12-16(24)13-28-20-23-22-19(29-20)21-15-6-4-3-5-7-15/h3-11,16,24H,2,12-13H2,1H3,(H,21,22)