methyl 3-[[4-(2-azanylethyl)-1,3-thiazol-2-yl]amino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[[4-(2-azanylethyl)-1,3-thiazol-2-yl]amino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[4-(2-aminoethyl)thiazol-2-yl]amino]-4-chloro-benzoate CAS Name: 3-[[4-(2-aminoethyl)-2-thiazolyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]-4-chlorobenzoate Traditional Name: 3-[[4-(2-aminoethyl)thiazol-2-yl]amino]-4-chloro-benzoic acid methyl ester Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC2=NC(=CS2)CCN

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC2=NC(=CS2)CCN

InChI

InChI=1S/C13H14ClN3O2S/c1-19-12(18)8-2-3-10(14)11(6-8)17-13-16-9(4-5-15)7-20-13/h2-3,6-7H,4-5,15H2,1H3,(H,16,17)