(E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-4-keto-but-2-enoic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C=CC(=O)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C13H12N2O3S/c1-15(12(16)6-7-13(17)18)8-11-14-9-4-2-3-5-10(9)19-11/h2-7H,8H2,1H3,(H,17,18)/b7-6+