2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-phenylisoxazol-5-yl)methylamino]prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(3-phenyl-5-isoxazolyl)methylamino]-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(3-phenyl-1,2-oxazol-5-yl)methylamino]prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-[(3-phenylisoxazol-5-yl)methylamino]acrylic acid 2-ethoxyethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CC(=NO1)C2=CC=CC=C2)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CC(=NO1)C2=CC=CC=C2)/SC)/C#N

InChI

InChI=1S/C19H21N3O4S/c1-3-24-9-10-25-19(23)16(12-20)18(27-2)21-13-15-11-17(22-26-15)14-7-5-4-6-8-14/h4-8,11,21H,3,9-10,13H2,1-2H3/b18-16+