[4-(1,3-dithiolan-2-yl)phenyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-chloranyl-5-methoxy-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(2-amino-2-oxo-ethoxy)-3-chloro-5-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-chloro-5-methoxy-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C19H18ClNO5S2 MolecularWeight: 439.93292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)Cl)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OC2=CC=C(C=C2)C3SCCS3)Cl)OCC(=O)N

InChI

InChI=1S/C19H18ClNO5S2/c1-24-15-9-12(8-14(20)17(15)25-10-16(21)22)18(23)26-13-4-2-11(3-5-13)19-27-6-7-28-19/h2-5,8-9,19H,6-7,10H2,1H3,(H2,21,22)