methyl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl 5-(1,3-benzothiazol-2-ylamino)-5-oxo-pentanoate CAS Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoate Traditional Name: 5-(1,3-benzothiazol-2-ylamino)-5-keto-valeric acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)NC1=NC2=CC=CC=C2S1

Isomeric SMILES

COC(=O)CCCC(=O)NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S/c1-18-12(17)8-4-7-11(16)15-13-14-9-5-2-3-6-10(9)19-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,15,16)