methyl (Z)-3-azanyl-2-cyano-4-(phenylsulfinyl)but-2-enoate

Systemtic Name: methyl (Z)-3-azanyl-2-cyano-4-(phenylsulfinyl)but-2-enoate Openeye Name: methyl (Z)-3-amino-4-(benzenesulfinyl)-2-cyano-but-2-enoate CAS Name: (Z)-3-amino-4-(benzenesulfinyl)-2-cyano-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-amino-4-(benzenesulfinyl)-2-cyanobut-2-enoate Traditional Name: (Z)-3-amino-4-(benzenesulfinyl)-2-cyano-but-2-enoic acid methyl ester Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CS(=O)C1=CC=CC=C1)N)C#N

Isomeric SMILES

COC(=O)/C(=C(/CS(=O)C1=CC=CC=C1)\N)/C#N

InChI

InChI=1S/C12H12N2O3S/c1-17-12(15)10(7-13)11(14)8-18(16)9-5-3-2-4-6-9/h2-6H,8,14H2,1H3/b11-10-