methyl 3-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C18H16ClNO3S2 MolecularWeight: 393.90754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

COC(=O)CCSCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C18H16ClNO3S2/c1-23-18(22)8-9-24-11-17(21)20-13-4-2-3-5-15(13)25-16-7-6-12(19)10-14(16)20/h2-7,10H,8-9,11H2,1H3