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

Systemtic Name: ethyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-prop-2-ynyl-2-[2-(p-tolylsulfonylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-methylphenyl)sulfonylamino]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 3-propargyl-2-[2-(tosylamino)benzoyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C)S2)CC#C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)C)S2)CC#C

InChI

InChI=1S/C27H23N3O5S2/c1-4-16-30-23-15-12-19(26(32)35-5-2)17-24(23)36-27(30)28-25(31)21-8-6-7-9-22(21)29-37(33,34)20-13-10-18(3)11-14-20/h1,6-15,17,29H,5,16H2,2-3H3