ethyl 5-azanyl-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H16N2O4S2 MolecularWeight: 376.44994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16N2O4S2/c1-2-21-17(20)15-12(11(8-18)16(19)25-15)9-24-10-3-4-13-14(7-10)23-6-5-22-13/h3-4,7H,2,5-6,9,19H2,1H3