ethyl 5-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-(1,4-dioxo-3H-phthalazin-2-yl)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-(1,4-diketo-3H-phthalazin-2-yl)acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=O)N2)C

InChI

InChI=1S/C18H17N3O5S/c1-3-26-18(25)15-10(2)8-14(27-15)19-13(22)9-21-17(24)12-7-5-4-6-11(12)16(23)20-21/h4-8H,3,9H2,1-2H3,(H,19,22)(H,20,23)