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

Systemtic Name: 2-[3-(benzo[e][1,3]benzothiazol-2-ylmethyl)-5-methyl-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzo[e][1,3]benzothiazol-2-ylmethyl)-5-methyl-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-(2-benzo[e][1,3]benzothiazolylmethyl)-5-methyl-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-(benzo[e][1,3]benzothiazol-2-ylmethyl)-5-methyl-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[3-(benzo[e][1,3]benzothiazol-2-ylmethyl)-4-keto-5-methyl-phthalazin-1-yl]acetic acid Formula: C23H17N3O3S MolecularWeight: 415.46438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(=O)N(N=C2CC(=O)O)CC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC2=C1C(=O)N(N=C2CC(=O)O)CC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H17N3O3S/c1-13-5-4-8-16-17(11-20(27)28)25-26(23(29)21(13)16)12-19-24-22-15-7-3-2-6-14(15)9-10-18(22)30-19/h2-10H,11-12H2,1H3,(H,27,28)