methyl 4-chloranyl-3-(phenothiazin-10-ylcarbonylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(phenothiazin-10-ylcarbonylamino)benzoate Openeye Name: methyl 4-chloro-3-(phenothiazine-10-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(10-phenothiazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-(phenothiazine-10-carbonylamino)benzoate Traditional Name: 4-chloro-3-(phenothiazine-10-carbonylamino)benzoic acid methyl ester Formula: C21H15ClN2O3S MolecularWeight: 410.8734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C21H15ClN2O3S/c1-27-20(25)13-10-11-14(22)15(12-13)23-21(26)24-16-6-2-4-8-18(16)28-19-9-5-3-7-17(19)24/h2-12H,1H3,(H,23,26)