1-[2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-oxidanylidene-3-prop-2-enyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-allyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-2-[(4-oxo-3-prop-2-enyl-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-oxo-3-prop-2-enyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-allyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]isonipecotic acid Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC=C2C4=CC=CS4

Isomeric SMILES

C=CCN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)O)SC=C2C4=CC=CS4

InChI

InChI=1S/C21H21N3O4S3/c1-2-7-24-19(26)17-14(15-4-3-10-29-15)11-30-18(17)22-21(24)31-12-16(25)23-8-5-13(6-9-23)20(27)28/h2-4,10-11,13H,1,5-9,12H2,(H,27,28)