ethyl 1-[2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=C(C=C4)C

InChI

InChI=1S/C24H26N4O4S/c1-3-32-23(31)17-7-6-12-27(14-17)21(29)15-33-24-26-19-9-5-4-8-18(19)22(30)28(24)20-11-10-16(2)13-25-20/h4-5,8-11,13,17H,3,6-7,12,14-15H2,1-2H3