3-[6-[5-(4-chlorophenyl)furan-2-yl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid

Systemtic Name: 3-[6-[5-(4-chlorophenyl)furan-2-yl]-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Openeye Name: 3-[6-[5-(4-chlorophenyl)-2-furyl]-4-oxo-2-thioxo-1,3-thiazin-3-yl]propanoic acid CAS Name: 3-[6-[5-(4-chlorophenyl)-2-furanyl]-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid IUPAC Name: 3-[6-[5-(4-chlorophenyl)furan-2-yl]-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]propanoic acid Traditional Name: 3-[6-[5-(4-chlorophenyl)-2-furyl]-4-keto-2-thioxo-1,3-thiazin-3-yl]propionic acid Formula: C17H12ClNO4S2 MolecularWeight: 393.86448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C3=CC(=O)N(C(=S)S3)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C3=CC(=O)N(C(=S)S3)CCC(=O)O)Cl

InChI

InChI=1S/C17H12ClNO4S2/c18-11-3-1-10(2-4-11)12-5-6-13(23-12)14-9-15(20)19(17(24)25-14)8-7-16(21)22/h1-6,9H,7-8H2,(H,21,22)