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

Systemtic Name: methyl 2-[2-[(4-methylphenyl)sulfonylamino]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H21N3O5S2 MolecularWeight: 519.59204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)C(=O)OC)CC#C

InChI

InChI=1S/C26H21N3O5S2/c1-4-15-29-22-14-11-18(25(31)34-3)16-23(22)35-26(29)27-24(30)20-7-5-6-8-21(20)28-36(32,33)19-12-9-17(2)10-13-19/h1,5-14,16,28H,15H2,2-3H3