4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-oxo-butanoic acid CAS Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-oxobutanoic acid IUPAC Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-oxobutanoic acid Traditional Name: 4-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-ylamino)-4-keto-butyric acid Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C15H14N2O3S/c18-12(7-8-13(19)20)16-15-17-14-10-4-2-1-3-9(10)5-6-11(14)21-15/h1-4H,5-8H2,(H,19,20)(H,16,17,18)