ethyl 2-azanyl-4-[[(E)-but-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-azanyl-4-[[(E)-but-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(E)-but-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-5-(methylcarbamoyl)-4-[[(E)-1-oxobut-2-enoxy]methyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(E)-but-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(E)-but-2-enoyl]oxymethyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C=CC)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)/C=C/C)C(=O)NC)N

InChI

InChI=1S/C14H18N2O5S/c1-4-6-9(17)21-7-8-10(14(19)20-5-2)12(15)22-11(8)13(18)16-3/h4,6H,5,7,15H2,1-3H3,(H,16,18)/b6-4+