methyl 2-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C21H25N3O4S/c1-28-19(26)13-22-18(25)14-29-21-23-17-10-6-5-9-16(17)20(27)24(21)12-11-15-7-3-2-4-8-15/h5-7,9-10H,2-4,8,11-14H2,1H3,(H,22,25)