5-[(butoxycarbonylamino)methyl]thiophene-2-carboxylate; dicyclohexylazanium

Systemtic Name: 5-[(butoxycarbonylamino)methyl]thiophene-2-carboxylate; dicyclohexylazanium Openeye Name: 5-[(butoxycarbonylamino)methyl]thiophene-2-carboxylate; dicyclohexylammonium CAS Name: 5-[[[butoxy(oxo)methyl]amino]methyl]-2-thiophenecarboxylate; dicyclohexylammonium IUPAC Name: 5-[(butoxycarbonylamino)methyl]thiophene-2-carboxylate; dicyclohexylazanium Traditional Name: 5-[(butoxycarbonylamino)methyl]-2-thenoate; dicyclohexylammonium Formula: C23H38N2O4S MolecularWeight: 438.62382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCC1=CC=C(S1)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CCCCOC(=O)NCC1=CC=C(S1)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C11H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-6-16-11(15)12-7-8-4-5-9(17-8)10(13)14/h11-13H,1-10H2;4-5H,2-3,6-7H2,1H3,(H,12,15)(H,13,14)