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

Systemtic Name: methyl 2-(1-adamantylcarbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Openeye Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]-4-methyl-5-[(3-nitroanilino)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(adamantane-1-carbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylate Traditional Name: 2-(adamantane-1-carbonylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O6S/c1-13-19(23(30)34-2)22(27-24(31)25-10-14-6-15(11-25)8-16(7-14)12-25)35-20(13)21(29)26-17-4-3-5-18(9-17)28(32)33/h3-5,9,14-16H,6-8,10-12H2,1-2H3,(H,26,29)(H,27,31)