4-[[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]methyl]cyclohexanecarboxylic acid Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)NCC1CCC(CC1)C(=O)O)N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H27N3O4S/c1-29-11-10-18(24-13-23-17-5-3-2-4-16(17)20(24)26)19(25)22-12-14-6-8-15(9-7-14)21(27)28/h2-5,13-15,18H,6-12H2,1H3,(H,22,25)(H,27,28)