dimethyl 5-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[1,3-benzothiazol-2-ylmethyl(methyl)amino]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=NC3=CC=CC=C3S2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN(C)CC2=NC3=CC=CC=C3S2)C(=O)OC

InChI

InChI=1S/C21H23N3O5S2/c1-12-17(20(26)28-3)19(31-18(12)21(27)29-4)23-15(25)9-10-24(2)11-16-22-13-7-5-6-8-14(13)30-16/h5-8H,9-11H2,1-4H3,(H,23,25)