[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H20N4O7S MolecularWeight: 472.4711

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20N4O7S/c1-2-7-23-21(29)25-17(26)10-30-20(28)14-4-3-8-22-19(14)33-11-18(27)24-13-5-6-15-16(9-13)32-12-31-15/h2-6,8-9H,1,7,10-12H2,(H,24,27)(H2,23,25,26,29)