methyl 2-diethoxyphosphoryl-3-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]prop-2-enoate

Systemtic Name: methyl 2-diethoxyphosphoryl-3-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]prop-2-enoate Openeye Name: methyl 2-diethoxyphosphoryl-3-[[(2-oxoindol-3-yl)amino]carbamothioylamino]prop-2-enoate CAS Name: 2-diethoxyphosphoryl-3-[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl 2-diethoxyphosphoryl-3-[[(2-oxoindol-3-yl)amino]carbamothioylamino]prop-2-enoate Traditional Name: 2-diethoxyphosphoryl-3-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]acrylic acid methyl ester Formula: C17H21N4O6PS MolecularWeight: 440.410601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(=CNC(=S)NNC1=C2C=CC=CC2=NC1=O)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(=CNC(=S)NNC1=C2C=CC=CC2=NC1=O)C(=O)OC)OCC

InChI

InChI=1S/C17H21N4O6PS/c1-4-26-28(24,27-5-2)13(16(23)25-3)10-18-17(29)21-20-14-11-8-6-7-9-12(11)19-15(14)22/h6-10H,4-5H2,1-3H3,(H2,18,21,29)(H,19,20,22)