1,3-benzothiazol-2-ylmethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C12H10N4O2S3 MolecularWeight: 338.4284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=NN=C(S3)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CSC3=NN=C(S3)N

InChI

InChI=1S/C12H10N4O2S3/c13-11-15-16-12(21-11)19-6-10(17)18-5-9-14-7-3-1-2-4-8(7)20-9/h1-4H,5-6H2,(H2,13,15)