N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]propionamide Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)SC=C2C5=CC=CS5

InChI

InChI=1S/C23H21N3O4S3/c1-3-26-22(28)19-15(18-5-4-10-31-18)12-32-21(19)25-23(26)33-13(2)20(27)24-14-6-7-16-17(11-14)30-9-8-29-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,24,27)