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

Systemtic Name: methyl (Z)-3-(4-ethylphenyl)-2-(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Openeye Name: methyl (Z)-3-(4-ethylphenyl)-2-(4-oxo-2-thioxo-1H-pyrimidin-6-yl)prop-2-enoate CAS Name: (Z)-3-(4-ethylphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-ethylphenyl)-2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)prop-2-enoate Traditional Name: (Z)-3-(4-ethylphenyl)-2-(4-keto-2-thioxo-1H-pyrimidin-6-yl)acrylic acid methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C(C2=CC(=O)NC(=S)N2)C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C(/C2=CC(=O)NC(=S)N2)\C(=O)OC

InChI

InChI=1S/C16H16N2O3S/c1-3-10-4-6-11(7-5-10)8-12(15(20)21-2)13-9-14(19)18-16(22)17-13/h4-9H,3H2,1-2H3,(H2,17,18,19,22)/b12-8-