dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxidanylidene-butyl)-10-methyl-phenothiazin-2-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxidanylidene-butyl)-10-methyl-phenothiazin-2-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxo-butyl)-10-methyl-phenothiazin-2-yl]ethyl]propanedioate CAS Name: 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxobutyl)-10-methyl-2-phenothiazinyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[7-(4-methoxy-3-methoxycarbonyl-4-oxobutyl)-10-methylphenothiazin-2-yl]ethyl]propanedioate Traditional Name: 2-[2-[7-(3-carbomethoxy-4-keto-4-methoxy-butyl)-10-methyl-phenothiazin-2-yl]ethyl]malonic acid dimethyl ester Formula: C27H31NO8S MolecularWeight: 529.60194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)CCC(C(=O)OC)C(=O)OC)SC3=C1C=C(C=C3)CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)CCC(C(=O)OC)C(=O)OC)SC3=C1C=C(C=C3)CCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H31NO8S/c1-28-20-12-8-17(7-11-19(26(31)35-4)27(32)36-5)15-23(20)37-22-13-9-16(14-21(22)28)6-10-18(24(29)33-2)25(30)34-3/h8-9,12-15,18-19H,6-7,10-11H2,1-5H3