ethyl 5-azanyl-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CN(C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21N3O4S/c1-3-24-19(23)17-14(13(9-20)18(21)27-17)11-22(2)10-12-4-5-15-16(8-12)26-7-6-25-15/h4-5,8H,3,6-7,10-11,21H2,1-2H3