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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OCC(=O)N(C)C(C)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)OCC(=O)N(C)[C@@H](C)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H22N2O3S2/c1-5-14-10-17(26-13(14)3)20(24)25-11-18(23)22(4)12(2)19-21-15-8-6-7-9-16(15)27-19/h6-10,12H,5,11H2,1-4H3/t12-/m0/s1