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

Systemtic Name: 4-[(E)-(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)N=CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)/N=C/C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-2-12-7-13-14(23-12)17-9-19(15(13)20)18-8-10-3-5-11(6-4-10)16(21)22/h3-9H,2H2,1H3,(H,21,22)/b18-8+