(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) (2S)-4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C25H20ClN3O5S MolecularWeight: 509.9614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)C(CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)[C@H](CC(=O)N)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3O5S/c26-16-11-9-15(10-12-16)24(32)28-17(13-22(27)30)25(33)34-14-23(31)29-18-5-1-3-7-20(18)35-21-8-4-2-6-19(21)29/h1-12,17H,13-14H2,(H2,27,30)(H,28,32)/t17-/m0/s1