ethyl 2-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetate CAS Name: 2-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]-4-oxophthalazin-1-yl]acetate Traditional Name: 2-[4-keto-3-[(5-methoxy-1,3-benzothiazol-2-yl)methyl]phthalazin-1-yl]acetic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)OC

Isomeric SMILES

CCOC(=O)CC1=NN(C(=O)C2=CC=CC=C21)CC3=NC4=C(S3)C=CC(=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-3-28-20(25)11-16-14-6-4-5-7-15(14)21(26)24(23-16)12-19-22-17-10-13(27-2)8-9-18(17)29-19/h4-10H,3,11-12H2,1-2H3