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

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethoxyethanoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(=O)OCC(=O)NC1=C(C2=C(S1)CC(CC2)C)C#N

Isomeric SMILES

CCOCC(=O)OCC(=O)NC1=C(C2=C(S1)C[C@H](CC2)C)C#N

InChI

InChI=1S/C16H20N2O4S/c1-3-21-9-15(20)22-8-14(19)18-16-12(7-17)11-5-4-10(2)6-13(11)23-16/h10H,3-6,8-9H2,1-2H3,(H,18,19)/t10-/m0/s1