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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-methylphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(m-tolyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(m-tolyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12ClN2O3S- MolecularWeight: 359.80678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)Cl

Isomeric SMILES

CC1=CC=CC(=C1)/C=C(/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)\Cl

InChI

InChI=1S/C17H13ClN2O3S/c1-8-4-3-5-10(6-8)7-11(18)14-19-15(21)12-9(2)13(17(22)23)24-16(12)20-14/h3-7H,1-2H3,(H,22,23)(H,19,20,21)/p-1/b11-7-