ethyl (6S)-2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[(2-ethyl-1-oxobutyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-(2-ethylbutanoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-5-12(6-2)16(20)19-17-15(18(21)22-7-3)13-9-8-11(4)10-14(13)23-17/h11-12H,5-10H2,1-4H3,(H,19,20)/t11-/m0/s1