methyl 2-(4-ethoxy-4-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-(4-ethoxy-4-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-(4-ethoxy-4-oxo-butyl)sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-ethoxy-4-oxobutyl)thio]-3-[(2S)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-ethoxy-4-oxobutyl)sulfanyl-3-[(2S)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-ethoxy-4-keto-butyl)thio]-3-[(2S)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

CCOC(=O)CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H](C)O

InChI

InChI=1S/C19H24N2O6S/c1-4-27-16(23)6-5-9-28-19-20-15-10-13(18(25)26-3)7-8-14(15)17(24)21(19)11-12(2)22/h7-8,10,12,22H,4-6,9,11H2,1-3H3/t12-/m0/s1