[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H17NO5S3 MolecularWeight: 423.52628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S3/c1-23-16-10-12(18-25-8-9-26-18)2-7-15(16)24-17(20)11-27-14-5-3-13(4-6-14)19(21)22/h2-7,10,18H,8-9,11H2,1H3