methyl 2-[(4-oxidanylidene-3-prop-2-enyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-[(4-oxidanylidene-3-prop-2-enyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]propanoate Openeye Name: methyl 2-(3-allyl-4-oxo-benzofuro[3,2-d]pyrimidin-2-yl)sulfanylpropanoate CAS Name: 2-[(4-oxo-3-prop-2-enyl-2-benzofuro[3,2-d]pyrimidinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(4-oxo-3-prop-2-enyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]propanoate Traditional Name: 2-[(3-allyl-4-keto-benzofuro[3,2-d]pyrimidin-2-yl)thio]propionic acid methyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(C(=O)N1CC=C)OC3=CC=CC=C32

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(C(=O)N1CC=C)OC3=CC=CC=C32

InChI

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