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

Systemtic Name: methyl 2-[6-bromanyl-2-(3-methoxynaphthalen-2-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-(3-methoxynaphthalene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[(3-methoxy-2-naphthalenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-(3-methoxynaphthalene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-(3-methoxy-2-naphthoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H17BrN2O4S MolecularWeight: 485.35038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC(=O)OC

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC(=O)OC

InChI

InChI=1S/C22H17BrN2O4S/c1-28-18-10-14-6-4-3-5-13(14)9-16(18)21(27)24-22-25(12-20(26)29-2)17-8-7-15(23)11-19(17)30-22/h3-11H,12H2,1-2H3