ethyl 1-(cyanomethyl)-2-(phenylsulfonyl)-10H-phenothiazine-3-carboxylate

Systemtic Name: ethyl 1-(cyanomethyl)-2-(phenylsulfonyl)-10H-phenothiazine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonyl)-1-(cyanomethyl)-10H-phenothiazine-3-carboxylate CAS Name: 2-(benzenesulfonyl)-1-(cyanomethyl)-10H-phenothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonyl)-1-(cyanomethyl)-10H-phenothiazine-3-carboxylate Traditional Name: 2-besyl-1-(cyanomethyl)-10H-phenothiazine-3-carboxylic acid ethyl ester Formula: C23H18N2O4S2 MolecularWeight: 450.53002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1S(=O)(=O)C3=CC=CC=C3)CC#N)NC4=CC=CC=C4S2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1S(=O)(=O)C3=CC=CC=C3)CC#N)NC4=CC=CC=C4S2

InChI

InChI=1S/C23H18N2O4S2/c1-2-29-23(26)17-14-20-21(25-18-10-6-7-11-19(18)30-20)16(12-13-24)22(17)31(27,28)15-8-4-3-5-9-15/h3-11,14,25H,2,12H2,1H3