methyl 2-[6-bromanyl-2-(3-butoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-(3-butoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(3-butoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(3-butoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC(=O)OC

InChI

InChI=1S/C21H21BrN2O4S/c1-3-4-10-28-16-7-5-6-14(11-16)20(26)23-21-24(13-19(25)27-2)17-9-8-15(22)12-18(17)29-21/h5-9,11-12H,3-4,10,13H2,1-2H3