ethyl (3R)-1-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetyl]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)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O5S/c1-3-33-24(31)17-7-6-14-27(15-17)22(29)16-34-25-26-21-9-5-4-8-20(21)23(30)28(25)18-10-12-19(32-2)13-11-18/h4-5,8-13,17H,3,6-7,14-16H2,1-2H3/t17-/m1/s1