1-adamantylmethyl 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: 1-adamantylmethyl 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: 1-adamantylmethyl 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid 1-adamantylmethyl ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C23H25NO3S/c25-21(20-2-1-7-28-20)24-19-5-3-18(4-6-19)22(26)27-14-23-11-15-8-16(12-23)10-17(9-15)13-23/h1-7,15-17H,8-14H2,(H,24,25)