ethyl 3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate

Systemtic Name: ethyl 3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate Openeye Name: ethyl 3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate CAS Name: 3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-yl]propanoate Traditional Name: 3-[5-[(6-mesyl-1,3-benzothiazol-2-yl)thio]-1,3,4-thiadiazol-2-yl]propionic acid ethyl ester Formula: C15H15N3O4S4 MolecularWeight: 429.5573

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC1=NN=C(S1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C15H15N3O4S4/c1-3-22-13(19)7-6-12-17-18-15(24-12)25-14-16-10-5-4-9(26(2,20)21)8-11(10)23-14/h4-5,8H,3,6-7H2,1-2H3