[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)CSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O5S/c1-14(2)26-25(31)27-21(28)12-32-22(29)13-33-20-11-10-16-15-6-3-4-7-17(15)24(30)19-9-5-8-18(20)23(16)19/h3-11,14H,12-13H2,1-2H3,(H2,26,27,28,31)