methyl 2-[6-bromanyl-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-bromanyl-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H22BrN3O5S2 MolecularWeight: 600.50398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC5=CC=CC=C54

InChI

InChI=1S/C26H22BrN3O5S2/c1-35-24(31)16-29-22-13-10-19(27)15-23(22)36-26(29)28-25(32)18-8-11-20(12-9-18)37(33,34)30-14-4-6-17-5-2-3-7-21(17)30/h2-3,5,7-13,15H,4,6,14,16H2,1H3