methyl (Z)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)-3-(3-phenylmethoxyphenyl)prop-2-enoate

Systemtic Name: methyl (Z)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)-3-(3-phenylmethoxyphenyl)prop-2-enoate Openeye Name: methyl (Z)-3-(3-benzyloxyphenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-3-(3-phenylmethoxyphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-3-(3-phenylmethoxyphenyl)prop-2-enoate Traditional Name: (Z)-3-(3-benzoxyphenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC(=CC=C1)OCC2=CC=CC=C2)C3=CC(=O)NC(=S)N3

Isomeric SMILES

COC(=O)/C(=C\C1=CC(=CC=C1)OCC2=CC=CC=C2)/C3=CC(=O)NC(=S)N3

InChI

InChI=1S/C21H18N2O4S/c1-26-20(25)17(18-12-19(24)23-21(28)22-18)11-15-8-5-9-16(10-15)27-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H2,22,23,24,28)/b17-11-