4-(2-butylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(2-butylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(2-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-[2-(butylthio)-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(2-butylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-[2-(butylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CCCCSCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-2-3-8-21-10-14(17)16-9-13(15(18)19)20-12-7-5-4-6-11(12)16/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)