methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]-2-(phenylmethoxycarbothioylamino)prop-2-enoate

Systemtic Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]-2-(phenylmethoxycarbothioylamino)prop-2-enoate Openeye Name: methyl (E)-2-(benzyloxycarbothioylamino)-3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]prop-2-enoate CAS Name: (E)-3-[(4,6-dimethyl-2-pyrimidinyl)-methylamino]-2-[[phenylmethoxy(sulfanylidene)methyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-2-(phenylmethoxycarbothioylamino)prop-2-enoate Traditional Name: (E)-2-(benzoxycarbothioylamino)-3-[(4,6-dimethylpyrimidin-2-yl)-methyl-amino]acrylic acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(C)C=C(C(=O)OC)NC(=S)OCC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(C)/C=C(\C(=O)OC)/NC(=S)OCC2=CC=CC=C2)C

InChI

InChI=1S/C19H22N4O3S/c1-13-10-14(2)21-18(20-13)23(3)11-16(17(24)25-4)22-19(27)26-12-15-8-6-5-7-9-15/h5-11H,12H2,1-4H3,(H,22,27)/b16-11+