ethyl 2-[[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxo-prop-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-methoxy-1-(methylthio)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-methoxy-1-methylsulfanyl-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-keto-3-methoxy-1-(methylthio)prop-1-enyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)N/C(=C(/C#N)\C(=O)OC)/SC

InChI

InChI=1S/C17H20N2O4S2/c1-4-23-17(21)13-10-7-5-6-8-12(10)25-15(13)19-14(24-3)11(9-18)16(20)22-2/h19H,4-8H2,1-3H3/b14-11+