methyl (2S)-6-azanyl-2-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]hexanoate hydrochloride

Systemtic Name: methyl (2S)-6-azanyl-2-[(5-methyl-4-nitro-thiophen-2-yl)carbonylamino]hexanoate hydrochloride Openeye Name: methyl (2S)-6-amino-2-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]hexanoate hydrochloride CAS Name: (2S)-6-amino-2-[[(5-methyl-4-nitro-2-thiophenyl)-oxomethyl]amino]hexanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-6-amino-2-[(5-methyl-4-nitrothiophene-2-carbonyl)amino]hexanoate hydrochloride Traditional Name: (2S)-6-amino-2-[(5-methyl-4-nitro-thiophene-2-carbonyl)amino]hexanoic acid methyl ester hydrochloride Formula: C13H20ClN3O5S MolecularWeight: 365.833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC(CCCCN)C(=O)OC)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=C(S1)C(=O)N[C@@H](CCCCN)C(=O)OC)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N3O5S.ClH/c1-8-10(16(19)20)7-11(22-8)12(17)15-9(13(18)21-2)5-3-4-6-14;/h7,9H,3-6,14H2,1-2H3,(H,15,17);1H/t9-;/m0./s1