ethyl 2-[1-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[1-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)carbonyl]piperidin-4-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)-4-piperidyl]thiazole-4-carboxylate CAS Name: 2-[1-[(3-methylsulfonyl-6,7-dihydro-2-benzothiophen-1-yl)-oxomethyl]-4-piperidinyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-methylsulfonyl-6,7-dihydro-2-benzothiophene-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[1-(3-mesyl-6,7-dihydroisobenzothiophene-1-carbonyl)-4-piperidyl]thiazole-4-carboxylic acid ethyl ester Formula: C21H24N2O5S3 MolecularWeight: 480.62066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)C2CCN(CC2)C(=O)C3=C4CCC=CC4=C(S3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O5S3/c1-3-28-20(25)16-12-29-18(22-16)13-8-10-23(11-9-13)19(24)17-14-6-4-5-7-15(14)21(30-17)31(2,26)27/h5,7,12-13H,3-4,6,8-11H2,1-2H3