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

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(p-tolyl)propanoate CAS Name: 3-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(4-methylphenyl)propanoate Traditional Name: 3-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]-3-(p-tolyl)propionic acid isopropyl ester Formula: C23H27NO3S2 MolecularWeight: 429.59538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC(C)C)NC(=O)C2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C23H27NO3S2/c1-15(2)27-21(25)14-20(17-6-4-16(3)5-7-17)24-22(26)18-8-10-19(11-9-18)23-28-12-13-29-23/h4-11,15,20,23H,12-14H2,1-3H3,(H,24,26)