(E)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(3-nitrophenyl)acrylamide Formula: C21H17N3O4S MolecularWeight: 407.44238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])S2)CC#C

InChI

InChI=1S/C21H17N3O4S/c1-3-12-23-18-10-9-17(28-4-2)14-19(18)29-21(23)22-20(25)11-8-15-6-5-7-16(13-15)24(26)27/h1,5-11,13-14H,4,12H2,2H3/b11-8+,22-21?