2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(6-ethyl-4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-(3-allyl-6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(6-ethyl-4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(6-ethyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(3-allyl-6-ethyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CC=C)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O5S2/c1-5-9-24-20(27)15-11-14(6-2)32-19(15)23-21(24)31-12(3)18(26)22-16-10-13(25(28)29)7-8-17(16)30-4/h5,7-8,10-12H,1,6,9H2,2-4H3,(H,22,26)