methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-4-oxo-1-phthalazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-4-keto-phthalazin-1-yl]acetic acid methyl ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CC1=NN(C(=O)C2=CC=CC=C21)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13N3O3S/c1-24-16(22)10-14-11-6-2-3-7-12(11)17(23)21(20-14)18-19-13-8-4-5-9-15(13)25-18/h2-9H,10H2,1H3