methyl 3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-chloro-1,3-benzothiazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H13ClN2O3S2 MolecularWeight: 392.87972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H13ClN2O3S2/c1-23-16(22)10-3-2-4-12(7-10)19-15(21)9-24-17-20-13-8-11(18)5-6-14(13)25-17/h2-8H,9H2,1H3,(H,19,21)