(2R)-N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionamide Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CS4)C(=O)N3C

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CS4)C(=O)N3C

InChI

InChI=1S/C17H15N3O4S2/c1-9(14(21)18-10-3-4-12-13(7-10)24-8-23-12)26-17-19-15-11(5-6-25-15)16(22)20(17)2/h3-7,9H,8H2,1-2H3,(H,18,21)/t9-/m1/s1