[2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(5-chloro-2-thienyl)methyl-ethyl-amino]-2-keto-ethyl] ester Formula: C17H15ClN2O3S2 MolecularWeight: 394.8956

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C17H15ClN2O3S2/c1-2-20(8-12-4-6-15(18)25-12)16(21)9-23-17(22)11-3-5-13-14(7-11)24-10-19-13/h3-7,10H,2,8-9H2,1H3