ethyl 1-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate Traditional Name: 1-(4-keto-3-o-anisyl-2-thioxo-1H-quinazoline-7-carbonyl)nipecotic acid ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4OC

InChI

InChI=1S/C25H27N3O5S/c1-3-33-24(31)18-8-6-12-27(14-18)22(29)16-10-11-19-20(13-16)26-25(34)28(23(19)30)15-17-7-4-5-9-21(17)32-2/h4-5,7,9-11,13,18H,3,6,8,12,14-15H2,1-2H3,(H,26,34)