4-[2-[(5S)-2-(2,5-dimethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(5S)-2-(2,5-dimethylphenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5S)-2-(2,5-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5S)-2-(2,5-dimethylphenyl)imino-3-methyl-4-oxo-5-thiazolidinyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5S)-2-(2,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5S)-2-(2,5-dimethylphenyl)imino-4-keto-3-methyl-thiazolidin-5-yl]acetyl]amino]benzoate Formula: C21H20N3O4S- MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C2N(C(=O)[C@@H](S2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C

InChI

InChI=1S/C21H21N3O4S/c1-12-4-5-13(2)16(10-12)23-21-24(3)19(26)17(29-21)11-18(25)22-15-8-6-14(7-9-15)20(27)28/h4-10,17H,11H2,1-3H3,(H,22,25)(H,27,28)/p-1/t17-/m0/s1