4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxidanylidene-butanoate

Systemtic Name: 4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxo-butanoate CAS Name: 4-[[(1,3-benzothiazol-2-ylamino)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: 4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylcarbamoylamino)-4-keto-butyrate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/c16-9(5-6-10(17)18)14-11(19)15-12-13-7-3-1-2-4-8(7)20-12/h1-4H,5-6H2,(H,17,18)(H2,13,14,15,16,19)/p-1