ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C(=O)OCC

InChI

InChI=1S/C20H23N3O3S2/c1-4-13-10-14(20(25)26-5-2)19(27-13)22-17(24)11-23(3)12-18-21-15-8-6-7-9-16(15)28-18/h6-10H,4-5,11-12H2,1-3H3,(H,22,24)