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

Systemtic Name: ethyl 2-[[5-[(4-methylsulfonylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-methylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[5-[[(4-methylsulfonylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-methylsulfonylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-mesylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid ethyl ester Formula: C14H15N3O5S3 MolecularWeight: 401.481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C14H15N3O5S3/c1-3-22-11(18)8-23-14-17-16-13(24-14)15-12(19)9-4-6-10(7-5-9)25(2,20)21/h4-7H,3,8H2,1-2H3,(H,15,16,19)