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

Systemtic Name: methyl 2-[2-[3-(4a,10a-dihydrophenothiazin-10-ylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[4a,10a-dihydrophenothiazin-10-yl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(4a,10a-dihydrophenothiazine-10-carbonylamino)phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C29H25N3O4S2 MolecularWeight: 543.6565

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)N3C4C=CC=CC4SC5=CC=CC=C53

InChI

InChI=1S/C29H25N3O4S2/c1-36-28(34)21-11-2-3-12-22(21)31-27(33)18-37-20-10-8-9-19(17-20)30-29(35)32-23-13-4-6-15-25(23)38-26-16-7-5-14-24(26)32/h2-17,23,25H,18H2,1H3,(H,30,35)(H,31,33)