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

Systemtic Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxidanylidene-pentanoate Openeye Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxo-pentanoate CAS Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoate IUPAC Name: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoate Traditional Name: 5-(1,3-benzothiazol-2-ylamino)-5-keto-valerate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C12H12N2O3S/c15-10(6-3-7-11(16)17)14-12-13-8-4-1-2-5-9(8)18-12/h1-2,4-5H,3,6-7H2,(H,16,17)(H,13,14,15)/p-1