ethyl 4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-3-oxobutanoate Traditional Name: 3-keto-4-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]butyric acid ethyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=NC2=C1OC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=NC2=C1OC3=CC=CC=C32)C

InChI

InChI=1S/C17H16N2O4S/c1-3-22-14(21)8-11(20)9-24-17-16-15(18-10(2)19-17)12-6-4-5-7-13(12)23-16/h4-7H,3,8-9H2,1-2H3