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

Systemtic Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(phenylmethoxycarbothioylamino)prop-2-enoate Openeye Name: methyl (E)-2-(benzyloxycarbothioylamino)-3-[(4,6-dimethylpyrimidin-2-yl)amino]prop-2-enoate CAS Name: (E)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-[[phenylmethoxy(sulfanylidene)methyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(phenylmethoxycarbothioylamino)prop-2-enoate Traditional Name: (E)-2-(benzoxycarbothioylamino)-3-[(4,6-dimethylpyrimidin-2-yl)amino]acrylic acid methyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3S/c1-12-9-13(2)21-17(20-12)19-10-15(16(23)24-3)22-18(26)25-11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,22,26)(H,19,20,21)/b15-10+