methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CSC2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C19H18N2O6S/c1-24-15-8-11(18(23)26-3)13(9-16(15)25-2)20-17(22)10-28-19-21-12-6-4-5-7-14(12)27-19/h4-9H,10H2,1-3H3,(H,20,22)