(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H18ClNO3S2 MolecularWeight: 492.00902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CSC4=CC=CC5=C4C(=CC=C5)Cl

InChI

InChI=1S/C26H18ClNO3S2/c27-18-9-5-7-17-8-6-14-23(26(17)18)32-16-25(30)31-15-24(29)28-19-10-1-3-12-21(19)33-22-13-4-2-11-20(22)28/h1-14H,15-16H2