ethyl 4,5-dimethyl-2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[4-(3-nitro-1,2,4-triazol-1-yl)-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C15H19N5O5S MolecularWeight: 381.40686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S/c1-4-25-14(22)12-9(2)10(3)26-13(12)17-11(21)6-5-7-19-8-16-15(18-19)20(23)24/h8H,4-7H2,1-3H3,(H,17,21)