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

Systemtic Name: propan-2-yl 3-[[4-(1,3-dithian-2-yl)phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoate Openeye Name: isopropyl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate CAS Name: 3-[[[4-(1,3-dithian-2-yl)phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-3-(4-methoxyphenyl)propionic acid isopropyl ester Formula: C24H29NO4S2 MolecularWeight: 459.62136

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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)C3SCCCS3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C3SCCCS3

InChI

InChI=1S/C24H29NO4S2/c1-16(2)29-22(26)15-21(17-9-11-20(28-3)12-10-17)25-23(27)18-5-7-19(8-6-18)24-30-13-4-14-31-24/h5-12,16,21,24H,4,13-15H2,1-3H3,(H,25,27)