methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-4-keto-3-(2-methoxyethyl)quinazoline-7-carboxylic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCOC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCOC

InChI

InChI=1S/C24H28N2O4S/c1-24(2,3)18-9-6-16(7-10-18)15-31-23-25-20-14-17(22(28)30-5)8-11-19(20)21(27)26(23)12-13-29-4/h6-11,14H,12-13,15H2,1-5H3