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

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] butanoate CAS Name: butanoic 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] butanoate Traditional Name: butyric acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-3-4-15(20)21-9-14(19)18-16-12(8-17)11-6-5-10(2)7-13(11)22-16/h10H,3-7,9H2,1-2H3,(H,18,19)/t10-/m0/s1