(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C26H21NO4S MolecularWeight: 443.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H21NO4S/c1-17-10-11-19-18(15-26(29)31-22(19)14-17)16-30-25(28)12-13-27-20-6-2-4-8-23(20)32-24-9-5-3-7-21(24)27/h2-11,14-15H,12-13,16H2,1H3