methyl 3-[(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 3-[(4-oxidanylidene-3-prop-2-enyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(3-allyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(4-oxo-3-prop-2-enyl-2-thieno[3,2-d]pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-oxo-3-prop-2-enylthieno[3,2-d]pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(3-allyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C(=O)N2CC=C)SC=C3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NC3=C(C(=O)N2CC=C)SC=C3

InChI

InChI=1S/C16H14N2O4S2/c1-3-6-18-14(19)13-11(5-8-23-13)17-16(18)24-9-10-4-7-22-12(10)15(20)21-2/h3-5,7-8H,1,6,9H2,2H3