ethyl (E)-3-[4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-methoxyphenyl)methylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-[(4-methoxyphenyl)methylamino]-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-methoxyphenyl)methylamino]-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[2-(methylthio)-4-(p-anisylamino)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NCC2=CC=C(C=C2)OC)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NCC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C18H21N3O3S/c1-4-24-16(22)10-7-14-12-20-18(25-3)21-17(14)19-11-13-5-8-15(23-2)9-6-13/h5-10,12H,4,11H2,1-3H3,(H,19,20,21)/b10-7+