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

Systemtic Name: ethyl 5-azanyl-3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H15N3O4S3 MolecularWeight: 433.5244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15N3O4S3/c1-2-24-17(23)15-11(10(7-19)16(20)28-15)8-25-14(22)9-26-18-21-12-5-3-4-6-13(12)27-18/h3-6H,2,8-9,20H2,1H3