[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H25ClN2O5S/c22-19-16-8-4-5-9-17(16)23-20(19)21(26)29-12-18(25)24(14-6-2-1-3-7-14)15-10-11-30(27,28)13-15/h4-5,8-9,14-15,23H,1-3,6-7,10-13H2