methyl 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[(3S)-3-methylpiperidino]ethyl]thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4S/c1-16-7-6-12-26(14-16)21(28)15-32-24-25-20-13-17(23(30)31-2)10-11-19(20)22(29)27(24)18-8-4-3-5-9-18/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3/t16-/m0/s1