methyl 2-[2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[[4-(1,3-dithiolan-2-yl)phenyl]carbonyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[[4-(1,3-dithiolan-2-yl)benzoyl]-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-(1,3-dithiolan-2-yl)benzoyl]-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[4-(1,3-dithiolan-2-yl)benzoyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C21H22N2O4S2/c1-23(13-18(24)22-17-6-4-3-5-16(17)20(26)27-2)19(25)14-7-9-15(10-8-14)21-28-11-12-29-21/h3-10,21H,11-13H2,1-2H3,(H,22,24)