ethyl (E)-3-[(4-methyl-2-sulfanyl-phenyl)amino]but-2-enoate

Systemtic Name: ethyl (E)-3-[(4-methyl-2-sulfanyl-phenyl)amino]but-2-enoate Openeye Name: ethyl (E)-3-(4-methyl-2-sulfanyl-anilino)but-2-enoate CAS Name: (E)-3-(2-mercapto-4-methylanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-methyl-2-sulfanylanilino)but-2-enoate Traditional Name: (E)-3-(2-mercapto-4-methyl-anilino)but-2-enoic acid ethyl ester Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(C=C(C=C1)C)S

Isomeric SMILES

CCOC(=O)/C=C(\C)/NC1=C(C=C(C=C1)C)S

InChI

InChI=1S/C13H17NO2S/c1-4-16-13(15)8-10(3)14-11-6-5-9(2)7-12(11)17/h5-8,14,17H,4H2,1-3H3/b10-8+