methyl (E)-3-[(3-aminocarbonyl-4-phenyl-thiophen-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-[(3-aminocarbonyl-4-phenyl-thiophen-2-yl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-[(3-carbamoyl-4-phenyl-2-thienyl)amino]-2-cyano-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(3-carbamoyl-4-phenyl-2-thiophenyl)amino]-2-cyano-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(3-carbamoyl-4-phenylthiophen-2-yl)amino]-2-cyano-3-methylsulfanylprop-2-enoate Traditional Name: (E)-3-[(3-carbamoyl-4-phenyl-2-thienyl)amino]-2-cyano-3-(methylthio)acrylic acid methyl ester Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)N)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)N)/SC)/C#N

InChI

InChI=1S/C17H15N3O3S2/c1-23-17(22)11(8-18)15(24-2)20-16-13(14(19)21)12(9-25-16)10-6-4-3-5-7-10/h3-7,9,20H,1-2H3,(H2,19,21)/b15-11+