2-[2-(2-cyanophenothiazin-10-yl)propoxycarbonyl]benzoic acid

Systemtic Name: 2-[2-(2-cyanophenothiazin-10-yl)propoxycarbonyl]benzoic acid Openeye Name: 2-[2-(2-cyanophenothiazin-10-yl)propoxycarbonyl]benzoic acid CAS Name: 2-[2-(2-cyano-10-phenothiazinyl)propoxy-oxomethyl]benzoic acid IUPAC Name: 2-[2-(2-cyanophenothiazin-10-yl)propoxycarbonyl]benzoic acid Traditional Name: 2-[2-(2-cyanophenothiazin-10-yl)propoxycarbonyl]benzoic acid Formula: C24H18N2O4S MolecularWeight: 430.47572

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)C1=CC=CC=C1C(=O)O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

Isomeric SMILES

CC(COC(=O)C1=CC=CC=C1C(=O)O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N

InChI

InChI=1S/C24H18N2O4S/c1-15(14-30-24(29)18-7-3-2-6-17(18)23(27)28)26-19-8-4-5-9-21(19)31-22-11-10-16(13-25)12-20(22)26/h2-12,15H,14H2,1H3,(H,27,28)