ethyl 4-(10-hexylphenothiazin-3-yl)benzoate

Systemtic Name: ethyl 4-(10-hexylphenothiazin-3-yl)benzoate Openeye Name: ethyl 4-(10-hexylphenothiazin-3-yl)benzoate CAS Name: 4-(10-hexyl-3-phenothiazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(10-hexylphenothiazin-3-yl)benzoate Traditional Name: 4-(10-hexylphenothiazin-3-yl)benzoic acid ethyl ester Formula: C27H29NO2S MolecularWeight: 431.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)OCC)SC4=CC=CC=C41

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)OCC)SC4=CC=CC=C41

InChI

InChI=1S/C27H29NO2S/c1-3-5-6-9-18-28-23-10-7-8-11-25(23)31-26-19-22(16-17-24(26)28)20-12-14-21(15-13-20)27(29)30-4-2/h7-8,10-17,19H,3-6,9,18H2,1-2H3