methyl 2-cyano-3-(phenylcarbamothioylamino)prop-2-enoate

Systemtic Name: methyl 2-cyano-3-(phenylcarbamothioylamino)prop-2-enoate Openeye Name: methyl 2-cyano-3-(phenylcarbamothioylamino)prop-2-enoate CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(phenylcarbamothioylamino)prop-2-enoate Traditional Name: 2-cyano-3-(phenylthiocarbamoylamino)acrylic acid methyl ester Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CNC(=S)NC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)C(=CNC(=S)NC1=CC=CC=C1)C#N

InChI

InChI=1S/C12H11N3O2S/c1-17-11(16)9(7-13)8-14-12(18)15-10-5-3-2-4-6-10/h2-6,8H,1H3,(H2,14,15,18)