ethyl 1-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-(4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-keto-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)propanoyl]nipecotic acid ethyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C21H27N3O4S/c1-2-28-21(27)13-6-5-11-24(12-13)17(25)10-9-16-22-19(26)18-14-7-3-4-8-15(14)29-20(18)23-16/h13H,2-12H2,1H3,(H,22,23,26)