ethyl 2-azanyl-4-methyl-5-[(E)-C-methyl-N-(octanoylamino)carbonimidoyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-methyl-5-[(E)-C-methyl-N-(octanoylamino)carbonimidoyl]thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-methyl-5-[(E)-C-methyl-N-(octanoylamino)carbonimidoyl]thiophene-3-carboxylate CAS Name: 2-amino-4-methyl-5-[(1E)-1-(1-oxooctylhydrazinylidene)ethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-methyl-5-[(E)-C-methyl-N-(octanoylamino)carbonimidoyl]thiophene-3-carboxylate Traditional Name: 2-amino-5-[(E)-N-(caprylylamino)-C-methyl-carbonimidoyl]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NN=C(C)C1=C(C(=C(S1)N)C(=O)OCC)C

Isomeric SMILES

CCCCCCCC(=O)N/N=C(\C)/C1=C(C(=C(S1)N)C(=O)OCC)C

InChI

InChI=1S/C18H29N3O3S/c1-5-7-8-9-10-11-14(22)21-20-13(4)16-12(3)15(17(19)25-16)18(23)24-6-2/h5-11,19H2,1-4H3,(H,21,22)/b20-13+