O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-[(4-methylphenyl)carbothioylamino]butanedioate

Systemtic Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-[(4-methylphenyl)carbothioylamino]butanedioate Openeye Name: O4-cyclohexyl O1-[(4-methoxyphenyl)methyl] (2S)-2-[(4-methylbenzenecarbothioyl)amino]butanedioate CAS Name: (2S)-2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]butanedioic acid O4-cyclohexyl ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-cyclohexyl 1-O-[(4-methoxyphenyl)methyl] (2S)-2-[(4-methylbenzenecarbothioyl)amino]butanedioate Traditional Name: (2S)-2-[(4-methylthiobenzoyl)amino]succinic acid O4-cyclohexyl ester O1-p-anisyl ester Formula: C26H31NO5S MolecularWeight: 469.59304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC(CC(=O)OC2CCCCC2)C(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)N[C@@H](CC(=O)OC2CCCCC2)C(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H31NO5S/c1-18-8-12-20(13-9-18)25(33)27-23(16-24(28)32-22-6-4-3-5-7-22)26(29)31-17-19-10-14-21(30-2)15-11-19/h8-15,22-23H,3-7,16-17H2,1-2H3,(H,27,33)/t23-/m0/s1