ethyl 2-[6-bromanyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-bromanyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[(E)-3-(3-nitrophenyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H16BrN3O5S MolecularWeight: 490.32714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16BrN3O5S/c1-2-29-19(26)12-23-16-8-7-14(21)11-17(16)30-20(23)22-18(25)9-6-13-4-3-5-15(10-13)24(27)28/h3-11H,2,12H2,1H3/b9-6+,22-20?