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

Systemtic Name: ethyl 1-[2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4C)C

InChI

InChI=1S/C26H29N3O4S/c1-4-33-25(32)19-10-8-14-28(15-19)23(30)16-34-26-27-21-12-6-5-11-20(21)24(31)29(26)22-13-7-9-17(2)18(22)3/h5-7,9,11-13,19H,4,8,10,14-16H2,1-3H3