2-[(Z)-1-chloranyl-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(4-ethylphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-ethylphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H14ClN2O3S- MolecularWeight: 373.83336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)\Cl

InChI

InChI=1S/C18H15ClN2O3S/c1-3-10-4-6-11(7-5-10)8-12(19)15-20-16(22)13-9(2)14(18(23)24)25-17(13)21-15/h4-8H,3H2,1-2H3,(H,23,24)(H,20,21,22)/p-1/b12-8-