3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[2-[(3-carbethoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylate Formula: C21H18N3O6S- MolecularWeight: 440.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-2-30-21(29)16-13-8-5-9-14(13)31-18(16)22-15(25)10-24-19(26)12-7-4-3-6-11(12)17(23-24)20(27)28/h3-4,6-7H,2,5,8-10H2,1H3,(H,22,25)(H,27,28)/p-1