(E)-4-[(1-ethylpyrrolidin-2-yl)methoxy]-4-oxidanylidene-but-2-enoic acid; 3-methoxy-4,5-dimethyl-thiophene-2-carboxamide

Systemtic Name: (E)-4-[(1-ethylpyrrolidin-2-yl)methoxy]-4-oxidanylidene-but-2-enoic acid; 3-methoxy-4,5-dimethyl-thiophene-2-carboxamide Openeye Name: (E)-4-[(1-ethylpyrrolidin-2-yl)methoxy]-4-oxo-but-2-enoic acid; 3-methoxy-4,5-dimethyl-thiophene-2-carboxamide CAS Name: (E)-4-[(1-ethyl-2-pyrrolidinyl)methoxy]-4-oxo-2-butenoic acid; 3-methoxy-4,5-dimethyl-2-thiophenecarboxamide IUPAC Name: (E)-4-[(1-ethylpyrrolidin-2-yl)methoxy]-4-oxobut-2-enoic acid; 3-methoxy-4,5-dimethylthiophene-2-carboxamide Traditional Name: (E)-4-[(1-ethylpyrrolidin-2-yl)methoxy]-4-keto-but-2-enoic acid; 3-methoxy-4,5-dimethyl-thiophene-2-carboxamide Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1COC(=O)C=CC(=O)O.CC1=C(SC(=C1OC)C(=O)N)C

Isomeric SMILES

CCN1CCCC1COC(=O)/C=C/C(=O)O.CC1=C(SC(=C1OC)C(=O)N)C

InChI

InChI=1S/C11H17NO4.C8H11NO2S/c1-2-12-7-3-4-9(12)8-16-11(15)6-5-10(13)14;1-4-5(2)12-7(8(9)10)6(4)11-3/h5-6,9H,2-4,7-8H2,1H3,(H,13,14);1-3H3,(H2,9,10)/b6-5+;