2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(5-cyclopropyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(3-allyl-5-cyclopropyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(5-cyclopropyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(5-cyclopropyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(3-allyl-5-cyclopropyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2CC=C)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2CC=C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c1-4-7-25-21(28)19-14(13-5-6-13)10-32-20(19)24-22(25)33-11-18(27)23-15-9-17(31-3)16(26(29)30)8-12(15)2/h4,8-10,13H,1,5-7,11H2,2-3H3,(H,23,27)