dimethyl 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethylamino]phenyl]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethylamino]phenyl]methylidene]propanedioate Openeye Name: dimethyl 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethylamino]phenyl]methylene]propanedioate CAS Name: 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethylamino]phenyl]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethylamino]phenyl]methylidene]propanedioate Traditional Name: 2-[4-[2-(2-keto-1,3-benzothiazol-3-yl)ethylamino]benzylidene]malonic acid dimethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=C(C=C1)NCCN2C3=CC=CC=C3SC2=O)C(=O)OC

Isomeric SMILES

COC(=O)C(=CC1=CC=C(C=C1)NCCN2C3=CC=CC=C3SC2=O)C(=O)OC

InChI

InChI=1S/C21H20N2O5S/c1-27-19(24)16(20(25)28-2)13-14-7-9-15(10-8-14)22-11-12-23-17-5-3-4-6-18(17)29-21(23)26/h3-10,13,22H,11-12H2,1-2H3