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

Systemtic Name: ethyl 5-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN(C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C19H21N3O3S2/c1-4-25-19(24)18-12(2)9-16(27-18)21-15(23)10-22(3)11-17-20-13-7-5-6-8-14(13)26-17/h5-9H,4,10-11H2,1-3H3,(H,21,23)