(3E)-6-chloranyl-2-ethoxy-3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one

Systemtic Name: (3E)-6-chloranyl-2-ethoxy-3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Openeye Name: (3E)-6-chloro-2-ethoxy-3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylene]chroman-4-one CAS Name: (3E)-6-chloro-2-ethoxy-3-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-6-chloro-2-ethoxy-3-[[(2-octylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]chromen-4-one Traditional Name: (3E)-6-chloro-2-ethoxy-3-[[[2-(octylthio)-1,3-benzothiazol-6-yl]amino]methylene]chroman-4-one Formula: C27H31ClN2O3S2 MolecularWeight: 531.12964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)NC=C3C(OC4=C(C3=O)C=C(C=C4)Cl)OCC

Isomeric SMILES

CCCCCCCCSC1=NC2=C(S1)C=C(C=C2)N/C=C/3\C(OC4=C(C3=O)C=C(C=C4)Cl)OCC

InChI

InChI=1S/C27H31ClN2O3S2/c1-3-5-6-7-8-9-14-34-27-30-22-12-11-19(16-24(22)35-27)29-17-21-25(31)20-15-18(28)10-13-23(20)33-26(21)32-4-2/h10-13,15-17,26,29H,3-9,14H2,1-2H3/b21-17-