[3-methyl-8,13-bis(oxidanylidene)-14H-naphtho[2,3-a]phenothiazin-7-yl] benzoate

Systemtic Name: [3-methyl-8,13-bis(oxidanylidene)-14H-naphtho[2,3-a]phenothiazin-7-yl] benzoate Openeye Name: (3-methyl-8,13-dioxo-14H-naphtho[2,3-a]phenothiazin-7-yl) benzoate CAS Name: benzoic acid (3-methyl-8,13-dioxo-14H-naphtho[2,3-a]phenothiazin-7-yl) ester IUPAC Name: (3-methyl-8,13-dioxo-14H-naphtho[2,3-a]phenothiazin-7-yl) benzoate Traditional Name: benzoic acid (8,13-diketo-3-methyl-14H-naphtho[2,3-a]phenothiazin-7-yl) ester Formula: C28H17NO4S MolecularWeight: 463.50388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C(S2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C(S2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C28H17NO4S/c1-15-11-12-19-21(13-15)34-22-14-20(33-28(32)16-7-3-2-4-8-16)23-24(25(22)29-19)27(31)18-10-6-5-9-17(18)26(23)30/h2-14,29H,1H3