methyl 5-[[[3-(1-adamantyl)-4-methoxy-phenyl]amino]methyl]thiophene-3-carboxylate

Systemtic Name: methyl 5-[[[3-(1-adamantyl)-4-methoxy-phenyl]amino]methyl]thiophene-3-carboxylate Openeye Name: methyl 5-[[3-(1-adamantyl)-4-methoxy-anilino]methyl]thiophene-3-carboxylate CAS Name: 5-[[3-(1-adamantyl)-4-methoxyanilino]methyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-(1-adamantyl)-4-methoxyanilino]methyl]thiophene-3-carboxylate Traditional Name: 5-[[3-(1-adamantyl)-4-methoxy-anilino]methyl]thiophene-3-carboxylic acid methyl ester Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NCC2=CC(=CS2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)NCC2=CC(=CS2)C(=O)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H29NO3S/c1-27-22-4-3-19(25-13-20-8-18(14-29-20)23(26)28-2)9-21(22)24-10-15-5-16(11-24)7-17(6-15)12-24/h3-4,8-9,14-17,25H,5-7,10-13H2,1-2H3