O2-ethyl O4-propan-2-yl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-(1-adamantylcarbonylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[1-adamantyl(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-(adamantane-1-carbonylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(adamantane-1-carbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OC(C)C)C

InChI

InChI=1S/C23H31NO5S/c1-5-28-21(26)18-13(4)17(20(25)29-12(2)3)19(30-18)24-22(27)23-9-14-6-15(10-23)8-16(7-14)11-23/h12,14-16H,5-11H2,1-4H3,(H,24,27)