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

Systemtic Name: 1-adamantyl-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[(6S)-3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[(6S)-3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]-2-keto-ethyl]ammonium Formula: C24H35N2O3S+ MolecularWeight: 431.6113

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N2O3S/c1-3-29-23(28)21-18-5-4-14(2)6-19(18)30-22(21)26-20(27)13-25-24-10-15-7-16(11-24)9-17(8-15)12-24/h14-17,25H,3-13H2,1-2H3,(H,26,27)/p+1/t14-,15?,16?,17?,24?/m0/s1