methyl 2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1-benzothiophen-2-yl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methylpropanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propionic acid methyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC=CC=C2S1)(C(=O)OC)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC2=CC=CC=C2S1)(C(=O)OC)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H29NO4S/c1-24(22(26)28-2,13-19-12-16-5-3-4-6-20(16)30-19)25-23(27)29-21-17-8-14-7-15(10-17)11-18(21)9-14/h3-6,12,14-15,17-18,21H,7-11,13H2,1-2H3,(H,25,27)