2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 5-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 5-azanyl-1-benzothiophene-2-carboxylate Openeye Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 5-aminobenzothiophene-2-carboxylate CAS Name: 5-amino-1-benzothiophene-2-carboxylic acid 2-[2-[[oxo-[(6-phenyl-3-pyridazinyl)amino]methyl]amino]phenyl]ethyl ester IUPAC Name: 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl 5-amino-1-benzothiophene-2-carboxylate Traditional Name: 5-aminobenzothiophene-2-carboxylic acid 2-[2-[(6-phenylpyridazin-3-yl)carbamoylamino]phenyl]ethyl ester Formula: C28H23N5O3S MolecularWeight: 509.57892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3CCOC(=O)C4=CC5=C(S4)C=CC(=C5)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C=C2)NC(=O)NC3=CC=CC=C3CCOC(=O)C4=CC5=C(S4)C=CC(=C5)N

InChI

InChI=1S/C28H23N5O3S/c29-21-10-12-24-20(16-21)17-25(37-24)27(34)36-15-14-19-8-4-5-9-22(19)30-28(35)31-26-13-11-23(32-33-26)18-6-2-1-3-7-18/h1-13,16-17H,14-15,29H2,(H2,30,31,33,35)