3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[allyl-[(5-chloro-2-thienyl)methyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C19H16ClN3O4S/c1-2-9-22(10-12-7-8-15(20)28-12)16(24)11-23-18(25)14-6-4-3-5-13(14)17(21-23)19(26)27/h2-8H,1,9-11H2,(H,26,27)