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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate CAS Name: 2-[(7-oxo-3-benzo[a]phenalenyl)thio]acetic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetate Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetic acid (2-anilino-2-keto-ethyl) ester Formula: C27H19NO4S MolecularWeight: 453.50906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H19NO4S/c29-24(28-17-7-2-1-3-8-17)15-32-25(30)16-33-23-14-13-19-18-9-4-5-10-20(18)27(31)22-12-6-11-21(23)26(19)22/h1-14H,15-16H2,(H,28,29)