[3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)OCC(=O)C(=C2NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C20H17N3O5S2/c1-13-6-8-14(9-7-13)30(26,27)22-11-19(25)28-12-17(24)15(10-21)20-23-16-4-2-3-5-18(16)29-20/h2-9,22-23H,11-12H2,1H3