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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)SC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

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