[2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)OCC(=O)N(C)[C@H](C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N2O3S2/c1-5-15-12(2)10-17(26-15)20(24)25-11-18(23)22(4)13(3)19-21-14-8-6-7-9-16(14)27-19/h6-10,13H,5,11H2,1-4H3/t13-/m1/s1