(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C27H22N2O5S/c1-17(30)28-19-10-11-20-18(14-27(32)34-23(20)15-19)16-33-26(31)12-13-29-21-6-2-4-8-24(21)35-25-9-5-3-7-22(25)29/h2-11,14-15H,12-13,16H2,1H3,(H,28,30)