methyl 2-(1-adamantylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H27NO3S/c1-14-3-5-18(6-4-14)19-13-29-21(20(19)22(26)28-2)25-23(27)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,13,15-17H,7-12H2,1-2H3,(H,25,27)