ethyl (6S)-2-[2-(1-adamantyl)ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-[2-(1-adamantyl)ethanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(1-adamantyl)-1-oxoethyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(1-adamantyl)acetyl]amino]-6-ethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H35NO3S MolecularWeight: 429.6153

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H35NO3S/c1-3-15-5-6-19-20(10-15)30-23(22(19)24(28)29-4-2)26-21(27)14-25-11-16-7-17(12-25)9-18(8-16)13-25/h15-18H,3-14H2,1-2H3,(H,26,27)/t15-,16?,17?,18?,25?/m0/s1