[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[butyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-[butyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C(C=C3N2)C)C

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC3=C(C=C(C=C3N2)C)C

InChI

InChI=1S/C21H28N2O5S/c1-4-5-7-23(16-6-8-29(26,27)13-16)20(24)12-28-21(25)19-11-17-15(3)9-14(2)10-18(17)22-19/h9-11,16,22H,4-8,12-13H2,1-3H3