[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: [2-(1-methylbutylamino)-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-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-3-7-16(2)27-23(28)14-31-24(29)15-32-22-13-12-18-17-8-4-5-9-19(17)26(30)21-11-6-10-20(22)25(18)21/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H,27,28)