[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17N3O5S2/c1-12-6-8-13(9-7-12)28(24,25)19-10-17(23)26-11-16(22)21-18-20-14-4-2-3-5-15(14)27-18/h2-9,19H,10-11H2,1H3,(H,20,21,22)