methyl 4-oxidanylidene-2-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[(E)-1-oxo-3-(phenylthio)prop-2-enoxy]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[(E)-3-phenylsulfanylprop-2-enoyl]oxymethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(E)-3-(phenylthio)acryloyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C=CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)/C=C/SC3=CC=CC=C3

InChI

InChI=1S/C20H16N2O5S/c1-26-20(25)13-7-8-15-16(11-13)21-17(22-19(15)24)12-27-18(23)9-10-28-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,21,22,24)/b10-9+