methyl 2-[6-bromanyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[3-[(4-methoxyphenyl)thio]-1-oxopropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[3-(4-methoxyphenyl)sulfanylpropanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[3-[(4-methoxyphenyl)thio]propanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19BrN2O4S2 MolecularWeight: 495.40986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C20H19BrN2O4S2/c1-26-14-4-6-15(7-5-14)28-10-9-18(24)22-20-23(12-19(25)27-2)16-8-3-13(21)11-17(16)29-20/h3-8,11H,9-10,12H2,1-2H3