(3S)-N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: (3S)-N-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)-1-(2-thienylsulfonyl)nipecotamide Formula: C18H20N4O4S3 MolecularWeight: 452.5708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)NC(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H20N4O4S3/c1-2-13-9-14-17(28-13)19-11-22(18(14)24)20-16(23)12-5-3-7-21(10-12)29(25,26)15-6-4-8-27-15/h4,6,8-9,11-12H,2-3,5,7,10H2,1H3,(H,20,23)/t12-/m0/s1