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

Systemtic Name: (E)-4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(butylthio)-1,3-benzothiazol-6-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-butylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[2-(butylthio)-1,3-benzothiazol-6-yl]amino]-4-keto-but-2-enoic acid Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C15H16N2O3S2/c1-2-3-8-21-15-17-11-5-4-10(9-12(11)22-15)16-13(18)6-7-14(19)20/h4-7,9H,2-3,8H2,1H3,(H,16,18)(H,19,20)/b7-6+