ethyl (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]acrylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=C(C2=C(S1)CC(CC2)C)C#N)C#N

Isomeric SMILES

CCOC(=O)/C(=C/NC1=C(C2=C(S1)C[C@H](CC2)C)C#N)/C#N

InChI

InChI=1S/C16H17N3O2S/c1-3-21-16(20)11(7-17)9-19-15-13(8-18)12-5-4-10(2)6-14(12)22-15/h9-10,19H,3-6H2,1-2H3/b11-9+/t10-/m0/s1