ethyl 2-azanyl-3-propan-2-ylsulfonyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-azanyl-3-propan-2-ylsulfonyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-amino-3-isopropylsulfonyl-benzimidazole-5-carboxylate CAS Name: 2-amino-3-propan-2-ylsulfonyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-3-propan-2-ylsulfonylbenzimidazole-5-carboxylate Traditional Name: 2-amino-3-isopropylsulfonyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2S(=O)(=O)C(C)C)N

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2S(=O)(=O)C(C)C)N

InChI

InChI=1S/C13H17N3O4S/c1-4-20-12(17)9-5-6-10-11(7-9)16(13(14)15-10)21(18,19)8(2)3/h5-8H,4H2,1-3H3,(H2,14,15)