methyl 2-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C35H29N3O4S2 MolecularWeight: 619.75246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)N4C5C=CC=CC5SC6=CC=CC=C64

InChI

InChI=1S/C35H29N3O4S2/c1-42-34(40)26-16-5-6-17-27(26)37-33(39)32(23-12-3-2-4-13-23)43-25-15-11-14-24(22-25)36-35(41)38-28-18-7-9-20-30(28)44-31-21-10-8-19-29(31)38/h2-22,28,30,32H,1H3,(H,36,41)(H,37,39)