methyl 3-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(3-ethyl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(3-ethyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(3-ethyl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(3-ethyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=C(C=CS2)N=C1SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C17H16N2O3S2/c1-3-19-15(20)14-13(7-8-23-14)18-17(19)24-10-11-5-4-6-12(9-11)16(21)22-2/h4-9H,3,10H2,1-2H3