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

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 3-phenothiazin-10-ylpropanoate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 3-phenothiazin-10-ylpropanoate CAS Name: 3-(10-phenothiazinyl)propanoic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 3-phenothiazin-10-ylpropanoate Traditional Name: 3-phenothiazin-10-ylpropionic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-3-15(2)22-20(24)14-26-21(25)12-13-23-16-8-4-6-10-18(16)27-19-11-7-5-9-17(19)23/h4-11,15H,3,12-14H2,1-2H3,(H,22,24)