methyl 2-(1-adamantylcarbonylamino)-5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(2,3-dimethylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-5-[(2,3-dimethylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(2,3-dimethylphenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C)C

InChI

InChI=1S/C27H32N2O4S/c1-14-6-5-7-20(15(14)2)28-23(30)22-16(3)21(25(31)33-4)24(34-22)29-26(32)27-11-17-8-18(12-27)10-19(9-17)13-27/h5-7,17-19H,8-13H2,1-4H3,(H,28,30)(H,29,32)