ethyl 4-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(4-oxidanylidene-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate CAS Name: 4-[4-oxo-2-(phenacylthio)-3-thieno[3,2-d]pyrimidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-2-phenacylsulfanylthieno[3,2-d]pyrimidin-3-yl)piperidine-1-carboxylate Traditional Name: 4-[4-keto-2-(phenacylthio)thieno[3,2-d]pyrimidin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c1-2-29-22(28)24-11-8-16(9-12-24)25-20(27)19-17(10-13-30-19)23-21(25)31-14-18(26)15-6-4-3-5-7-15/h3-7,10,13,16H,2,8-9,11-12,14H2,1H3