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

Systemtic Name: ethyl (E)-3-[[(6S)-3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[[(6S)-3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-cyano-acrylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-3-22-16(21)10(7-17)8-19-15-13(14(18)20)11-5-4-9(2)6-12(11)23-15/h8-9,19H,3-6H2,1-2H3,(H2,18,20)/b10-8+/t9-/m0/s1