4-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid

Systemtic Name: 4-[6-(1,3-benzodioxol-5-yl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid Openeye Name: 4-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]butanoic acid CAS Name: 4-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid IUPAC Name: 4-[6-(1,3-benzodioxol-5-yl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid Traditional Name: 4-[6-(1,3-benzodioxol-5-yl)-4-keto-2-thioxo-1,3-thiazin-3-yl]butyric acid Formula: C15H13NO5S2 MolecularWeight: 351.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=S)S3)CCCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=O)N(C(=S)S3)CCCC(=O)O

InChI

InChI=1S/C15H13NO5S2/c17-13-7-12(9-3-4-10-11(6-9)21-8-20-10)23-15(22)16(13)5-1-2-14(18)19/h3-4,6-7H,1-2,5,8H2,(H,18,19)