benzene; diethyl 2,4-diethanoyl-3-(4-phenyl-1,3-thiazol-2-yl)pentanedioate

Systemtic Name: benzene; diethyl 2,4-diethanoyl-3-(4-phenyl-1,3-thiazol-2-yl)pentanedioate Openeye Name: benzene; diethyl 2,4-diacetyl-3-(4-phenylthiazol-2-yl)pentanedioate CAS Name: benzene; 2,4-diacetyl-3-(4-phenyl-2-thiazolyl)pentanedioic acid diethyl ester IUPAC Name: benzene; diethyl 2,4-diacetyl-3-(4-phenyl-1,3-thiazol-2-yl)pentanedioate Traditional Name: benzene; 2,4-diacetyl-3-(4-phenylthiazol-2-yl)glutaric acid diethyl ester Formula: C28H31NO6S MolecularWeight: 509.61384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=NC(=CS1)C2=CC=CC=C2)C(C(=O)C)C(=O)OCC)C(=O)C.C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(C(C1=NC(=CS1)C2=CC=CC=C2)C(C(=O)C)C(=O)OCC)C(=O)C.C1=CC=CC=C1

InChI

InChI=1S/C22H25NO6S.C6H6/c1-5-28-21(26)17(13(3)24)19(18(14(4)25)22(27)29-6-2)20-23-16(12-30-20)15-10-8-7-9-11-15;1-2-4-6-5-3-1/h7-12,17-19H,5-6H2,1-4H3;1-6H