2-[3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-5-methyl-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-keto-5-methyl-phthalazin-1-yl]acetic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(N=C2CC(=O)O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(N=C2CC(=O)O)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O3S/c1-11-5-4-6-12-14(9-17(23)24)21-22(19(25)18(11)12)10-16-20-13-7-2-3-8-15(13)26-16/h2-8H,9-10H2,1H3,(H,23,24)