2-[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl]thio]benzoic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)O)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)CSC3=CC=CC=C3C(=O)O)C(=O)N

InChI

InChI=1S/C18H16N2O5S/c19-17(22)14-9-20(12-6-2-3-7-13(12)25-14)16(21)10-26-15-8-4-1-5-11(15)18(23)24/h1-8,14H,9-10H2,(H2,19,22)(H,23,24)