diethyl 2-[[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]methylene]propanedioate CAS Name: 2-[[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(6-ethoxycarbonyl-1,3-benzothiazol-2-yl)amino]methylidene]propanedioate Traditional Name: 2-[[(6-carbethoxy-1,3-benzothiazol-2-yl)amino]methylene]malonic acid diethyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC=C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H20N2O6S/c1-4-24-15(21)11-7-8-13-14(9-11)27-18(20-13)19-10-12(16(22)25-5-2)17(23)26-6-3/h7-10H,4-6H2,1-3H3,(H,19,20)