ethyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: ethyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O4S/c1-5-30-22(29)17-11-12-18-19(13-17)25-23(31-15-20(27)24(2,3)4)26(21(18)28)14-16-9-7-6-8-10-16/h6-13H,5,14-15H2,1-4H3