ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethyl)-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethyl)-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxy-2-oxoethyl)-2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethyl)-2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazole-6-carboxylate Traditional Name: 3-(2-ethoxy-2-keto-ethyl)-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C28H27N3O7S2 MolecularWeight: 581.65988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C28H27N3O7S2/c1-4-37-25(32)17-31-23-15-12-19(27(34)38-5-2)16-24(23)39-28(31)29-26(33)21-8-6-7-9-22(21)30-40(35,36)20-13-10-18(3)11-14-20/h6-16,30H,4-5,17H2,1-3H3