[2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C19H16BrN3O4S MolecularWeight: 462.31704

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C19H16BrN3O4S/c1-2-9-23(10-12-7-8-15(20)28-12)16(24)11-27-19(26)17-13-5-3-4-6-14(13)18(25)22-21-17/h2-8H,1,9-11H2,(H,22,25)