methyl 3-(3-chlorophenyl)-2-[1-(3-cyano-3-phenyl-azetidin-1-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(3-chlorophenyl)-2-[1-(3-cyano-3-phenyl-azetidin-1-yl)-1-oxidanylidene-hexan-2-yl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(3-chlorophenyl)-2-[1-(3-cyano-3-phenyl-azetidine-1-carbonyl)pentylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(3-chlorophenyl)-2-[[1-(3-cyano-3-phenyl-1-azetidinyl)-1-oxohexan-2-yl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-chlorophenyl)-2-[1-(3-cyano-3-phenylazetidin-1-yl)-1-oxohexan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(3-chlorophenyl)-2-[1-(3-cyano-3-phenyl-azetidine-1-carbonyl)pentylthio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C32H29ClN4O4S MolecularWeight: 601.11506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CC(C1)(C#N)C2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCC(C(=O)N1CC(C1)(C#N)C2=CC=CC=C2)SC3=NC4=C(C=CC(=C4)C(=O)OC)C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C32H29ClN4O4S/c1-3-4-13-27(29(39)36-19-32(18-34,20-36)22-9-6-5-7-10-22)42-31-35-26-16-21(30(40)41-2)14-15-25(26)28(38)37(31)24-12-8-11-23(33)17-24/h5-12,14-17,27H,3-4,13,19-20H2,1-2H3