methyl 4-chloranyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16ClNO5S/c1-23-18(22)11-2-4-13(19)14(8-11)20-17(21)10-26-12-3-5-15-16(9-12)25-7-6-24-15/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)