ethyl 7-bromanyl-2-methyl-4-oxidanylidene-1,2,3,10-tetrahydrophenothiazine-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-2-methyl-4-oxidanylidene-1,2,3,10-tetrahydrophenothiazine-3-carboxylate Openeye Name: ethyl 7-bromo-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylate CAS Name: 7-bromo-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-bromo-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylate Traditional Name: 7-bromo-4-keto-2-methyl-1,2,3,10-tetrahydrophenothiazine-3-carboxylic acid ethyl ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC2=C(C1=O)SC3=C(N2)C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1C(CC2=C(C1=O)SC3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C16H16BrNO3S/c1-3-21-16(20)13-8(2)6-11-15(14(13)19)22-12-7-9(17)4-5-10(12)18-11/h4-5,7-8,13,18H,3,6H2,1-2H3