(2S)-2-[(5E)-4-oxidanylidene-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(5E)-4-oxidanylidene-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(5E)-4-oxo-5-(6-quinoxalinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid Traditional Name: (2S)-2-[(5E)-4-keto-5-(quinoxalin-6-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionic acid Formula: C21H15N3O3S2 MolecularWeight: 421.4921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC4=NC=CN=C4C=C3)SC2=S

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N2C(=O)/C(=C\C3=CC4=NC=CN=C4C=C3)/SC2=S

InChI

InChI=1S/C21H15N3O3S2/c25-19-18(12-14-6-7-15-16(10-14)23-9-8-22-15)29-21(28)24(19)17(20(26)27)11-13-4-2-1-3-5-13/h1-10,12,17H,11H2,(H,26,27)/b18-12+/t17-/m0/s1