[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-(acetamidomethyl)thiophene-2-sulfonate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-(acetamidomethyl)thiophene-2-sulfonate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 5-(acetamidomethyl)thiophene-2-sulfonate CAS Name: 5-(acetamidomethyl)-2-thiophenesulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 5-(acetamidomethyl)thiophene-2-sulfonate Traditional Name: 5-(acetamidomethyl)thiophene-2-sulfonic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C17H19NO5S4 MolecularWeight: 445.59646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CC(=O)NCC1=CC=C(S1)S(=O)(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C17H19NO5S4/c1-11(19)18-10-13-4-6-16(26-13)27(20,21)23-14-5-3-12(9-15(14)22-2)17-24-7-8-25-17/h3-6,9,17H,7-8,10H2,1-2H3,(H,18,19)