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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(=O)OC

InChI

InChI=1S/C21H25N3O4S/c1-3-23(15-9-5-4-6-10-15)18(25)14-29-21-22-17-12-8-7-11-16(17)20(27)24(21)13-19(26)28-2/h7-9,11-12H,3-6,10,13-14H2,1-2H3