[4-(1,3-dithiolan-2-yl)phenyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] (2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] (2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butyric acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H27NO4S2 MolecularWeight: 445.59478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC2=CC=C(C=C2)C3SCCS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OC2=CC=C(C=C2)C3SCCS3

InChI

InChI=1S/C23H27NO4S2/c1-4-27-18-9-5-16(6-10-18)21(25)24-20(15(2)3)22(26)28-19-11-7-17(8-12-19)23-29-13-14-30-23/h5-12,15,20,23H,4,13-14H2,1-3H3,(H,24,25)/t20-/m0/s1