methyl 2-[(2-bromophenyl)methyl]-6-butyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazocane-4-carboxylate

Systemtic Name: methyl 2-[(2-bromophenyl)methyl]-6-butyl-1,1-bis(oxidanylidene)-1,2,6-thiadiazocane-4-carboxylate Openeye Name: methyl 2-[(2-bromophenyl)methyl]-6-butyl-1,1-dioxo-1,2,6-thiadiazocane-4-carboxylate CAS Name: 2-[(2-bromophenyl)methyl]-6-butyl-1,1-dioxo-1,2,6-thiadiazocane-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-bromophenyl)methyl]-6-butyl-1,1-dioxo-1,2,6-thiadiazocane-4-carboxylate Traditional Name: 2-(2-bromobenzyl)-6-butyl-1,1-diketo-1,2,6-thiadiazocane-4-carboxylic acid methyl ester Formula: C18H27BrN2O4S MolecularWeight: 447.38698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCS(=O)(=O)N(CC(C1)C(=O)OC)CC2=CC=CC=C2Br

Isomeric SMILES

CCCCN1CCS(=O)(=O)N(CC(C1)C(=O)OC)CC2=CC=CC=C2Br

InChI

InChI=1S/C18H27BrN2O4S/c1-3-4-9-20-10-11-26(23,24)21(14-16(12-20)18(22)25-2)13-15-7-5-6-8-17(15)19/h5-8,16H,3-4,9-14H2,1-2H3