(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)19-14-12-18(13-15-19)26(32)28-16-25(31)33-17-24(30)29-20-8-4-6-10-22(20)34-23-11-7-5-9-21(23)29/h4-15H,16-17H2,1-3H3,(H,28,32)