diethyl 2-[[[4-chloranyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-ethyl-amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[4-chloranyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)phenyl]-ethyl-amino]methylidene]propanedioate Openeye Name: diethyl 2-[[4-chloro-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-anilino]methylene]propanedioate CAS Name: 2-[[4-chloro-3-(4,5-dimethyl-2-thiazolyl)-N-ethylanilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-chloro-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylanilino]methylidene]propanedioate Traditional Name: 2-[[4-chloro-3-(4,5-dimethylthiazol-2-yl)-N-ethyl-anilino]methylene]malonic acid diethyl ester Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC(=C(C=C1)Cl)C2=NC(=C(S2)C)C

Isomeric SMILES

CCN(C=C(C(=O)OCC)C(=O)OCC)C1=CC(=C(C=C1)Cl)C2=NC(=C(S2)C)C

InChI

InChI=1S/C21H25ClN2O4S/c1-6-24(12-17(20(25)27-7-2)21(26)28-8-3)15-9-10-18(22)16(11-15)19-23-13(4)14(5)29-19/h9-12H,6-8H2,1-5H3