methyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-indolin-1-ylsulfonylbenzoyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C26H23N3O7S3 MolecularWeight: 585.67172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C54

InChI

InChI=1S/C26H23N3O7S3/c1-36-24(30)16-28-22-12-11-20(38(2,32)33)15-23(22)37-26(28)27-25(31)18-7-9-19(10-8-18)39(34,35)29-14-13-17-5-3-4-6-21(17)29/h3-12,15H,13-14,16H2,1-2H3