methyl 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]thiophene-2-carboxylate CAS Name: 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]thiophene-2-carboxylate Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propylsulfamoyl]thiophene-2-carboxylic acid methyl ester Formula: C16H16N2O4S3 MolecularWeight: 396.50424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)NCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H16N2O4S3/c1-22-16(19)15-13(8-10-23-15)25(20,21)17-9-4-7-14-18-11-5-2-3-6-12(11)24-14/h2-3,5-6,8,10,17H,4,7,9H2,1H3