propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: 3-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C23H27NO4S2/c1-15(2)28-21(25)14-20(16-8-10-19(27-3)11-9-16)24-22(26)17-4-6-18(7-5-17)23-29-12-13-30-23/h4-11,15,20,23H,12-14H2,1-3H3,(H,24,26)