ethyl 2-methylsulfanyl-4-[[3-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[3-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[3-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[3-[(E)-1-oxo-3-(2-propoxyphenyl)prop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[3-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[3-[(E)-3-(2-propoxyphenyl)acryloyl]oxyanilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=CC(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C/C(=O)OC2=CC=CC(=C2)NC3=NC(=NC=C3C(=O)OCC)SC

InChI

InChI=1S/C26H27N3O5S/c1-4-15-33-22-12-7-6-9-18(22)13-14-23(30)34-20-11-8-10-19(16-20)28-24-21(25(31)32-5-2)17-27-26(29-24)35-3/h6-14,16-17H,4-5,15H2,1-3H3,(H,27,28,29)/b14-13+