methyl 3-[4-oxidanylidene-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-3-yl]propanoate

Systemtic Name: methyl 3-[4-oxidanylidene-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[4-oxo-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-3-yl]propanoate CAS Name: 3-[4-oxo-2-[(2-oxo-3-azepanyl)thio]-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-oxo-2-(2-oxoazepan-3-yl)sulfanylquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-[(2-ketoazepan-3-yl)thio]quinazolin-3-yl]propionic acid methyl ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SC3CCCCNC3=O

InChI

InChI=1S/C18H21N3O4S/c1-25-15(22)9-11-21-17(24)12-6-2-3-7-13(12)20-18(21)26-14-8-4-5-10-19-16(14)23/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,19,23)