ethyl 4-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]sulfamoyl]benzoate CAS Name: 4-[[3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]-4,5,6,7-tetrahydrobenzothiophen-2-yl]sulfamoyl]benzoic acid ethyl ester Formula: C29H30N4O6S2 MolecularWeight: 594.7017

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C29H30N4O6S2/c1-4-39-29(36)19-14-16-21(17-15-19)41(37,38)31-27-24(22-12-8-9-13-23(22)40-27)26(34)30-25-18(2)32(3)33(28(25)35)20-10-6-5-7-11-20/h5-7,10-11,14-17,31H,4,8-9,12-13H2,1-3H3,(H,30,34)