methyl 2-(1-adamantylcarbonylamino)-5-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-5-[(3-chloranyl-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-5-[(3-chloro-2-methylanilino)-oxomethyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methylthiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-5-[(3-chloro-2-methyl-phenyl)carbamoyl]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29ClN2O4S MolecularWeight: 501.03746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C

InChI

InChI=1S/C26H29ClN2O4S/c1-13-18(27)5-4-6-19(13)28-22(30)21-14(2)20(24(31)33-3)23(34-21)29-25(32)26-10-15-7-16(11-26)9-17(8-15)12-26/h4-6,15-17H,7-12H2,1-3H3,(H,28,30)(H,29,32)