4-[(Z)-2-chloranyl-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoate

Systemtic Name: 4-[(Z)-2-chloranyl-2-(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoate Openeye Name: 4-[(Z)-2-chloro-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]benzoate CAS Name: 4-[(Z)-2-chloro-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoate IUPAC Name: 4-[(Z)-2-chloro-2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoate Traditional Name: 4-[(Z)-2-chloro-2-(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]benzoate Formula: C21H12ClN2O3S- MolecularWeight: 407.84958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)C(=CC4=CC=C(C=C4)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)/C(=C/C4=CC=C(C=C4)C(=O)[O-])/Cl

InChI

InChI=1S/C21H13ClN2O3S/c22-16(10-12-6-8-14(9-7-12)21(26)27)18-23-19(25)15-11-17(28-20(15)24-18)13-4-2-1-3-5-13/h1-11H,(H,26,27)(H,23,24,25)/p-1/b16-10-