ethyl 3-[6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridin-3-yl]propanoate

Systemtic Name: ethyl 3-[6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxidanylidene-quinazolin-3-yl)propanoyl]amino]pyridin-3-yl]propanoate Openeye Name: ethyl 3-[6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxo-quinazolin-3-yl)propanoyl]amino]-3-pyridyl]propanoate CAS Name: 3-[6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-3-pyridinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[[3-cyclohexyl-2-(7-methylsulfonyl-4-oxoquinazolin-3-yl)propanoyl]amino]pyridin-3-yl]propanoate Traditional Name: 3-[6-[[3-cyclohexyl-2-(4-keto-7-mesyl-quinazolin-3-yl)propanoyl]amino]-3-pyridyl]propionic acid ethyl ester Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCC1=CN=C(C=C1)NC(=O)C(CC2CCCCC2)N3C=NC4=C(C3=O)C=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C28H34N4O6S/c1-3-38-26(33)14-10-20-9-13-25(29-17-20)31-27(34)24(15-19-7-5-4-6-8-19)32-18-30-23-16-21(39(2,36)37)11-12-22(23)28(32)35/h9,11-13,16-19,24H,3-8,10,14-15H2,1-2H3,(H,29,31,34)