[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H20ClNO4S2 MolecularWeight: 437.9601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClNO4S2/c1-25-17-12-14(20-27-10-11-28-20)4-7-16(17)26-18(23)8-9-22-19(24)13-2-5-15(21)6-3-13/h2-7,12,20H,8-11H2,1H3,(H,22,24)