2-methoxy-10H-phenothiazine; (phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenehexan-2-yl]amino]pentan-2-yl]carbamate

Systemtic Name: 2-methoxy-10H-phenothiazine; (phenylmethyl) N-[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidenehexan-2-yl]amino]pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-formylpentyl]carbamoyl]-3-methyl-butyl]carbamate; 2-methoxy-10H-phenothiazine CAS Name: 2-methoxy-10H-phenothiazine; N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate; 2-methoxy-10H-phenothiazine Traditional Name: N-[(1S)-1-[[(1S)-1-formylpentyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester; 2-methoxy-10H-phenothiazine Formula: C33H41N3O5S MolecularWeight: 591.76074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1.COC1=CC2=C(C=C1)SC3=CC=CC=C3N2

Isomeric SMILES

CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1.COC1=CC2=C(C=C1)SC3=CC=CC=C3N2

InChI

InChI=1S/C20H30N2O4.C13H11NOS/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16;1-15-9-6-7-13-11(8-9)14-10-4-2-3-5-12(10)16-13/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25);2-8,14H,1H3/t17-,18-;/m0./s1