2-[3-(1,3-benzothiazol-2-ylmethyl)-7-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-methyl-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-methyl-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-7-methyl-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylmethyl)-4-keto-7-methyl-phthalazin-1-yl]acetic acid Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(N=C2CC(=O)O)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(N=C2CC(=O)O)CC3=NC4=CC=CC=C4S3

InChI

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