2-[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloranyl-2-oxidanyl-4-oxidanylidene-1,8-naphthyridin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-hydroxy-4-oxo-1,8-naphthyridin-3-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-hydroxy-4-oxo-1,8-naphthyridine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[1-(1,3-benzothiazol-2-ylmethyl)-6-chloro-2-hydroxy-4-keto-1,8-naphthyridine-3-carbonyl]amino]acetic acid Formula: C19H13ClN4O5S MolecularWeight: 444.84832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CN3C(=C(C(=O)C4=CC(=CN=C43)Cl)C(=O)NCC(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CN3C(=C(C(=O)C4=CC(=CN=C43)Cl)C(=O)NCC(=O)O)O

InChI

InChI=1S/C19H13ClN4O5S/c20-9-5-10-16(27)15(18(28)22-7-14(25)26)19(29)24(17(10)21-6-9)8-13-23-11-3-1-2-4-12(11)30-13/h1-6,29H,7-8H2,(H,22,28)(H,25,26)