methyl 2-(1-adamantylcarbamoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1-adamantylcarbamoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1-adamantylcarbamoylamino)-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1-adamantylamino)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1-adamantylcarbamoylamino)-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-(1-adamantylcarbamoylamino)-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)NC34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C26H32N2O4S/c1-4-32-20-7-5-19(6-8-20)21-15(2)33-23(22(21)24(29)31-3)27-25(30)28-26-12-16-9-17(13-26)11-18(10-16)14-26/h5-8,16-18H,4,9-14H2,1-3H3,(H2,27,28,30)