4-[2-[(5R)-2-(3-chloranyl-4-methyl-phenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoylamino]benzoate

Systemtic Name: 4-[2-[(5R)-2-(3-chloranyl-4-methyl-phenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[(5R)-3-allyl-2-(3-chloro-4-methyl-phenyl)imino-4-oxo-thiazolidin-5-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5R)-2-(3-chloro-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-5-thiazolidinyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[(5R)-2-(3-chloro-4-methylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5R)-3-allyl-2-(3-chloro-4-methyl-phenyl)imino-4-keto-thiazolidin-5-yl]acetyl]amino]benzoate Formula: C22H19ClN3O4S- MolecularWeight: 456.92196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O4S/c1-3-10-26-20(28)18(31-22(26)25-16-7-4-13(2)17(23)11-16)12-19(27)24-15-8-5-14(6-9-15)21(29)30/h3-9,11,18H,1,10,12H2,2H3,(H,24,27)(H,29,30)/p-1/t18-/m1/s1