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

Systemtic Name: (E)-4-oxidanylidene-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Openeye Name: (E)-4-[(2-allylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-[[2-(prop-2-enylthio)-1,3-benzothiazol-6-yl]amino]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]but-2-enoic acid Traditional Name: (E)-4-[[2-(allylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-but-2-enoic acid Formula: C14H12N2O3S2 MolecularWeight: 320.38668

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

C=CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H12N2O3S2/c1-2-7-20-14-16-10-4-3-9(8-11(10)21-14)15-12(17)5-6-13(18)19/h2-6,8H,1,7H2,(H,15,17)(H,18,19)/b6-5+