methyl 2-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C30H35N3O6S2 MolecularWeight: 597.7454

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4)CCC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O6S2/c1-39-29(36)22-12-13-25-26(18-22)31-30(32(28(25)35)16-14-21-8-4-2-5-9-21)40-19-27(34)33(23-10-6-3-7-11-23)24-15-17-41(37,38)20-24/h2,4-5,8-9,12-13,18,23-24H,3,6-7,10-11,14-17,19-20H2,1H3