methyl 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-4-chloro-benzoic acid methyl ester Formula: C17H13ClN2O3S2 MolecularWeight: 392.87972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC3=CC=CC=C3S2

InChI

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