methyl 1-[3-(2-chloranylphenothiazin-10-yl)propyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-[3-(2-chloranylphenothiazin-10-yl)propyl]pyrrole-2-carboxylate Openeye Name: methyl 1-[3-(2-chlorophenothiazin-10-yl)propyl]pyrrole-2-carboxylate CAS Name: 1-[3-(2-chloro-10-phenothiazinyl)propyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-(2-chlorophenothiazin-10-yl)propyl]pyrrole-2-carboxylate Traditional Name: 1-[3-(2-chlorophenothiazin-10-yl)propyl]pyrrole-2-carboxylic acid methyl ester Formula: C21H19ClN2O2S MolecularWeight: 398.90576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=CN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C21H19ClN2O2S/c1-26-21(25)17-7-4-11-23(17)12-5-13-24-16-6-2-3-8-19(16)27-20-10-9-15(22)14-18(20)24/h2-4,6-11,14H,5,12-13H2,1H3