(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(hydroxymethyl)benzoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 4-(hydroxymethyl)benzoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)CO

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C4=CC=C(C=C4)CO

InChI

InChI=1S/C22H17NO4S/c24-13-15-9-11-16(12-10-15)22(26)27-14-21(25)23-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)23/h1-12,24H,13-14H2