ethyl 2-[(5-methyl-4-oxidanylidene-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(5-methyl-4-oxidanylidene-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(5-methyl-4-oxo-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(5-methyl-4-oxo-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-4-oxo-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-5-methyl-3-phenyl-6-propyl-4aH-thieno[2,3-d]pyrimidin-3-ium-2-yl)thio]acetic acid ethyl ester Formula: C20H23N2O3S2+ MolecularWeight: 403.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2C(=NC(=[N+](C2=O)C3=CC=CC=C3)SCC(=O)OCC)S1)C

Isomeric SMILES

CCCC1=C(C2C(=NC(=[N+](C2=O)C3=CC=CC=C3)SCC(=O)OCC)S1)C

InChI

InChI=1S/C20H23N2O3S2/c1-4-9-15-13(3)17-18(27-15)21-20(26-12-16(23)25-5-2)22(19(17)24)14-10-7-6-8-11-14/h6-8,10-11,17H,4-5,9,12H2,1-3H3/q+1