methyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(1,3-benzothiazole-6-carbonylamino)-4-chloro-benzoate CAS Name: 3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazole-6-carbonylamino)-4-chlorobenzoate Traditional Name: 3-(1,3-benzothiazole-6-carbonylamino)-4-chloro-benzoic acid methyl ester Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C16H11ClN2O3S/c1-22-16(21)10-2-4-11(17)13(6-10)19-15(20)9-3-5-12-14(7-9)23-8-18-12/h2-8H,1H3,(H,19,20)