ethyl 1-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-methyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3-methyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-keto-3-methyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C21H23N3O4S3 MolecularWeight: 477.62002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CS4)C(=O)N2C

InChI

InChI=1S/C21H23N3O4S3/c1-3-28-20(27)13-6-8-24(9-7-13)16(25)12-31-21-22-18-17(19(26)23(21)2)14(11-30-18)15-5-4-10-29-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3