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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(4-propoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-propoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H16ClN2O4S- MolecularWeight: 403.85934

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)\Cl

InChI

InChI=1S/C19H17ClN2O4S/c1-3-8-26-12-6-4-11(5-7-12)9-13(20)16-21-17(23)14-10(2)15(19(24)25)27-18(14)22-16/h4-7,9H,3,8H2,1-2H3,(H,24,25)(H,21,22,23)/p-1/b13-9-