tert-butyl 7-chloranyl-2-methyl-4-oxidanylidene-1,2,3,10-tetrahydrophenothiazine-3-carboxylate

Systemtic Name: tert-butyl 7-chloranyl-2-methyl-4-oxidanylidene-1,2,3,10-tetrahydrophenothiazine-3-carboxylate Openeye Name: tert-butyl 7-chloro-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylate CAS Name: 7-chloro-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-chloro-2-methyl-4-oxo-1,2,3,10-tetrahydrophenothiazine-3-carboxylate Traditional Name: 7-chloro-4-keto-2-methyl-1,2,3,10-tetrahydrophenothiazine-3-carboxylic acid tert-butyl ester Formula: C18H20ClNO3S MolecularWeight: 365.8743

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C(=O)C1C(=O)OC(C)(C)C)SC3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC1CC2=C(C(=O)C1C(=O)OC(C)(C)C)SC3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C18H20ClNO3S/c1-9-7-12-16(15(21)14(9)17(22)23-18(2,3)4)24-13-8-10(19)5-6-11(13)20-12/h5-6,8-9,14,20H,7H2,1-4H3