(E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-nitrophenyl)acrylamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])S2)CCSC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-])S2)CCSC

InChI

InChI=1S/C21H21N3O3S2/c1-3-15-6-10-18-19(14-15)29-21(23(18)12-13-28-2)22-20(25)11-7-16-4-8-17(9-5-16)24(26)27/h4-11,14H,3,12-13H2,1-2H3/b11-7+,22-21?