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

Systemtic Name: (E)-4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[2-(ethylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-but-2-enoic acid Formula: C13H12N2O3S2 MolecularWeight: 308.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O3S2/c1-2-19-13-15-9-4-3-8(7-10(9)20-13)14-11(16)5-6-12(17)18/h3-7H,2H2,1H3,(H,14,16)(H,17,18)/b6-5+