4-[(Z)-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate

Systemtic Name: 4-[(Z)-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]benzoate Formula: C16H12N3O3S- MolecularWeight: 326.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)N=CC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)/N=C\C3=CC=C(C=C3)C(=O)[O-])C

InChI

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