[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate

Systemtic Name: [2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-methoxypropan-2-ylamino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CC(COC)NC(=O)COC(=O)CCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C21H24N2O4S/c1-15(13-26-2)22-20(24)14-27-21(25)11-12-23-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23/h3-10,15H,11-14H2,1-2H3,(H,22,24)