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

Systemtic Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[6-ethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[6-ethyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(3-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(=CC=C3)[N+](=O)[O-])S2)CCSC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S2/c1-3-15-7-9-18-19(14-15)29-21(23(18)11-12-28-2)22-20(25)10-8-16-5-4-6-17(13-16)24(26)27/h4-10,13-14H,3,11-12H2,1-2H3/b10-8+,22-21?