methyl 3-[(2-acetyloxy-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[(2-acetyloxy-4-methyl-cyclohexyl)carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[(2-acetoxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[(2-acetyloxy-4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-acetyloxy-4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[(2-acetoxy-4-methyl-cyclohexanecarbonyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC)C(C)C

InChI

InChI=1S/C25H31NO5S/c1-15(2)26(24(28)19-12-11-16(3)13-21(19)31-17(4)27)20-14-22(18-9-7-6-8-10-18)32-23(20)25(29)30-5/h6-10,14-16,19,21H,11-13H2,1-5H3