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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(2-propoxy-1,3-thiazol-5-yl)methylamino]prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(2-propoxythiazol-5-yl)methylamino]prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(2-propoxy-5-thiazolyl)methylamino]-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(2-propoxy-1,3-thiazol-5-yl)methylamino]prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-[(2-propoxythiazol-5-yl)methylamino]acrylic acid 2-ethoxyethyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(S1)CNC(=C(C#N)C(=O)OCCOCC)SC

Isomeric SMILES

CCCOC1=NC=C(S1)CN/C(=C(/C#N)\C(=O)OCCOCC)/SC

InChI

InChI=1S/C16H23N3O4S2/c1-4-6-23-16-19-11-12(25-16)10-18-14(24-3)13(9-17)15(20)22-8-7-21-5-2/h11,18H,4-8,10H2,1-3H3/b14-13+