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

Systemtic Name: ethyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-methyl-2-[(E)-3-(3-nitrophenyl)acryloyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S/c1-3-29-20(26)13-23-17-9-7-14(2)11-18(17)30-21(23)22-19(25)10-8-15-5-4-6-16(12-15)24(27)28/h4-12H,3,13H2,1-2H3/b10-8+,22-21?