tert-butyl 6-acetyloxy-9-(aminomethyl)-10-methyl-phenothiazine-4-carboxylate

Systemtic Name: tert-butyl 6-acetyloxy-9-(aminomethyl)-10-methyl-phenothiazine-4-carboxylate Openeye Name: tert-butyl 6-acetoxy-9-(aminomethyl)-10-methyl-phenothiazine-4-carboxylate CAS Name: 6-acetyloxy-9-(aminomethyl)-10-methyl-4-phenothiazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-acetyloxy-9-(aminomethyl)-10-methylphenothiazine-4-carboxylate Traditional Name: 6-acetoxy-9-(aminomethyl)-10-methyl-phenothiazine-4-carboxylic acid tert-butyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C2C(=C(C=C1)CN)N(C3=CC=CC(=C3S2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC(=O)OC1=C2C(=C(C=C1)CN)N(C3=CC=CC(=C3S2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H24N2O4S/c1-12(24)26-16-10-9-13(11-22)17-19(16)28-18-14(20(25)27-21(2,3)4)7-6-8-15(18)23(17)5/h6-10H,11,22H2,1-5H3