methyl 2-(2-ethylhexanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethylhexanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[(2-ethyl-1-oxohexyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-(2-ethylhexanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)OC

InChI

InChI=1S/C20H31NO3S/c1-4-6-11-14(5-2)18(22)21-19-17(20(23)24-3)15-12-9-7-8-10-13-16(15)25-19/h14H,4-13H2,1-3H3,(H,21,22)