ethyl 2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-(3-azanyl-3-oxidanylidene-propyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-(3-amino-3-oxo-propyl)sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(3-amino-3-oxopropyl)thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-3-oxopropyl)sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(3-amino-3-keto-propyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCC(=O)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCCC(=O)N

InChI

InChI=1S/C15H19N3O3S/c1-3-18-12-6-5-10(14(20)21-4-2)9-11(12)17-15(18)22-8-7-13(16)19/h5-6,9H,3-4,7-8H2,1-2H3,(H2,16,19)