4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate IUPAC Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyrate Formula: C13H13N2O4S- MolecularWeight: 293.31832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H14N2O4S/c1-2-19-8-3-4-9-10(7-8)20-13(14-9)15-11(16)5-6-12(17)18/h3-4,7H,2,5-6H2,1H3,(H,17,18)(H,14,15,16)/p-1