2-dimethylaminoethyl 5-chloranyl-2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)sulfanyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: 2-dimethylaminoethyl 5-chloranyl-2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Openeye Name: 2-dimethylaminoethyl 5-chloro-2-(2-oxoindolin-5-yl)sulfanyl-1H-benzimidazole-4-carboxylate CAS Name: 5-chloro-2-[(2-oxo-1,3-dihydroindol-5-yl)thio]-1H-benzimidazole-4-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-chloro-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfanyl]-1H-benzimidazole-4-carboxylate Traditional Name: 5-chloro-2-[(2-ketoindolin-5-yl)thio]-1H-benzimidazole-4-carboxylic acid 2-dimethylaminoethyl ester Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC4=C(C=C3)NC(=O)C4)Cl

Isomeric SMILES

CN(C)CCOC(=O)C1=C(C=CC2=C1N=C(N2)SC3=CC4=C(C=C3)NC(=O)C4)Cl

InChI

InChI=1S/C20H19ClN4O3S/c1-25(2)7-8-28-19(27)17-13(21)4-6-15-18(17)24-20(23-15)29-12-3-5-14-11(9-12)10-16(26)22-14/h3-6,9H,7-8,10H2,1-2H3,(H,22,26)(H,23,24)