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

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyphenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-[(E)-1-oxo-3-(2-propoxyphenyl)prop-2-enoxy]anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-[(E)-3-(2-propoxyphenyl)prop-2-enoyl]oxyanilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-[(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=C(C=C2)NC3=NC(=NC=C3C(=O)OCC)SC

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c1-4-16-33-22-9-7-6-8-18(22)10-15-23(30)34-20-13-11-19(12-14-20)28-24-21(25(31)32-5-2)17-27-26(29-24)35-3/h6-15,17H,4-5,16H2,1-3H3,(H,27,28,29)/b15-10+