diethyl (2S)-2-[[4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(2,6-dimethyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)thio]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2,6-dimethyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(4-keto-2,6-dimethyl-1H-quinazolin-5-yl)thio]benzoyl]amino]glutaric acid diethyl ester Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)N=C(N3)C)C

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=C(C=CC3=C2C(=O)N=C(N3)C)C

InChI

InChI=1S/C26H29N3O6S/c1-5-34-21(30)14-13-20(26(33)35-6-2)29-24(31)17-8-10-18(11-9-17)36-23-15(3)7-12-19-22(23)25(32)28-16(4)27-19/h7-12,20H,5-6,13-14H2,1-4H3,(H,29,31)(H,27,28,32)/t20-/m0/s1