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

Systemtic Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl] propanoate CAS Name: propanoic 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] propanoate Traditional Name: propionic acid [2-[[(6S)-3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl] ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S/c1-3-14(19)20-8-13(18)17-15-11(7-16)10-5-4-9(2)6-12(10)21-15/h9H,3-6,8H2,1-2H3,(H,17,18)/t9-/m0/s1