[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-methyl-1-phenyl-benzimidazole-5-carboxylate CAS Name: 2-methyl-1-phenyl-5-benzimidazolecarboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-methyl-1-phenylbenzimidazole-5-carboxylate Traditional Name: 2-methyl-1-phenyl-benzimidazole-5-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)NC4CCS(=O)(=O)C4

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)OCC(=O)N[C@H]4CCS(=O)(=O)C4

InChI

InChI=1S/C21H21N3O5S/c1-14-22-18-11-15(7-8-19(18)24(14)17-5-3-2-4-6-17)21(26)29-12-20(25)23-16-9-10-30(27,28)13-16/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,25)/t16-/m0/s1