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

Systemtic Name: (E)-4-[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(2-nonylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[[2-(nonylthio)-1,3-benzothiazol-6-yl]amino]but-2-enoic acid Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC(=O)O

Isomeric SMILES

CCCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C20H26N2O3S2/c1-2-3-4-5-6-7-8-13-26-20-22-16-10-9-15(14-17(16)27-20)21-18(23)11-12-19(24)25/h9-12,14H,2-8,13H2,1H3,(H,21,23)(H,24,25)/b12-11+