ethyl 5-azanyl-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[3-(1,3-benzothiazol-2-yl)propanoyloxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17N3O4S2/c1-2-25-19(24)17-12(11(9-20)18(21)28-17)10-26-16(23)8-7-15-22-13-5-3-4-6-14(13)27-15/h3-6H,2,7-8,10,21H2,1H3