(E)-4-oxidanylidene-4-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Openeye Name: (E)-4-oxo-4-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid CAS Name: (E)-4-oxo-4-[[2-(propylthio)-1,3-benzothiazol-6-yl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(2-propylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Traditional Name: (E)-4-keto-4-[[2-(propylthio)-1,3-benzothiazol-6-yl]amino]but-2-enoic acid Formula: C14H14N2O3S2 MolecularWeight: 322.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H14N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h3-6,8H,2,7H2,1H3,(H,15,17)(H,18,19)/b6-5+