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

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-ethoxy-2-nitro-phenyl)acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]-N-(4-ethoxy-2-nitro-phenyl)acetamide Formula: C19H18N4O5S2 MolecularWeight: 446.50002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S2/c1-3-8-22-18(25)13-7-9-29-17(13)21-19(22)30-11-16(24)20-14-6-5-12(28-4-2)10-15(14)23(26)27/h3,5-7,9-10H,1,4,8,11H2,2H3,(H,20,24)