4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate hydrochloride

Systemtic Name: 4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate hydrochloride Openeye Name: 4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate hydrochloride CAS Name: 10-phenothiazinecarboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride IUPAC Name: 4-(diethylamino)but-2-ynyl phenothiazine-10-carboxylate hydrochloride Traditional Name: phenothiazine-10-carboxylic acid 4-(diethylamino)but-2-ynyl ester hydrochloride Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.Cl

Isomeric SMILES

CCN(CC)CC#CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.Cl

InChI

InChI=1S/C21H22N2O2S.ClH/c1-3-22(4-2)15-9-10-16-25-21(24)23-17-11-5-7-13-19(17)26-20-14-8-6-12-18(20)23;/h5-8,11-14H,3-4,15-16H2,1-2H3;1H