methyl 4-[2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]acetyl]amino]benzoic acid methyl ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C19H18ClNO5S/c1-24-19(23)13-2-4-14(5-3-13)21-17(22)11-27-10-12-8-15(20)18-16(9-12)25-6-7-26-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,22)