methyl 3-azanyl-4-[3-(4-methylphenyl)sulfonylpropanoyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-azanyl-4-[3-(4-methylphenyl)sulfonylpropanoyl]thiophene-2-carboxylate Openeye Name: methyl 3-amino-4-[3-(p-tolylsulfonyl)propanoyl]thiophene-2-carboxylate CAS Name: 3-amino-4-[3-(4-methylphenyl)sulfonyl-1-oxopropyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-amino-4-[3-(4-methylphenyl)sulfonylpropanoyl]thiophene-2-carboxylate Traditional Name: 3-amino-4-(3-tosylpropanoyl)thiophene-2-carboxylic acid methyl ester Formula: C16H17NO5S2 MolecularWeight: 367.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CSC(=C2N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)C2=CSC(=C2N)C(=O)OC

InChI

InChI=1S/C16H17NO5S2/c1-10-3-5-11(6-4-10)24(20,21)8-7-13(18)12-9-23-15(14(12)17)16(19)22-2/h3-6,9H,7-8,17H2,1-2H3