ethyl 5-[3-[3-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[3-[3-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)amino]-3-oxidanylidene-propyl]sulfanylpropanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[3-[3-[(4-ethoxycarbonyl-2-phenyl-pyrazol-3-yl)amino]-3-oxo-propyl]sulfanylpropanoylamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[3-[[3-[(4-ethoxycarbonyl-2-phenyl-3-pyrazolyl)amino]-3-oxopropyl]thio]-1-oxopropyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-[3-[(4-ethoxycarbonyl-2-phenylpyrazol-3-yl)amino]-3-oxopropyl]sulfanylpropanoylamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[3-[[3-[(4-carbethoxy-2-phenyl-pyrazol-3-yl)amino]-3-keto-propyl]thio]propanoylamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C30H32N6O6S MolecularWeight: 604.67668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCSCCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)CCSCCC(=O)NC3=C(C=NN3C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C30H32N6O6S/c1-3-41-29(39)23-19-31-35(21-11-7-5-8-12-21)27(23)33-25(37)15-17-43-18-16-26(38)34-28-24(30(40)42-4-2)20-32-36(28)22-13-9-6-10-14-22/h5-14,19-20H,3-4,15-18H2,1-2H3,(H,33,37)(H,34,38)