4-[(E)-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)N=CC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)/N=C/C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O3S/c1-13-17(15-5-3-2-4-6-15)18-19(28-13)22-12-24(20(18)25)23-11-14-7-9-16(10-8-14)21(26)27/h2-12H,1H3,(H,26,27)/b23-11+