ethyl 3-methyl-5-(2-phthalazin-1-ylsulfanylethanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(2-phthalazin-1-ylsulfanylethanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[(2-phthalazin-1-ylsulfanylacetyl)amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[(2-phthalazin-1-ylsulfanylacetyl)amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-(phthalazin-1-ylthio)acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NN=CC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CSC2=NN=CC3=CC=CC=C32)C

InChI

InChI=1S/C18H17N3O3S2/c1-3-24-18(23)16-11(2)8-15(26-16)20-14(22)10-25-17-13-7-5-4-6-12(13)9-19-21-17/h4-9H,3,10H2,1-2H3,(H,20,22)