(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H18N2O5S3 MolecularWeight: 474.57302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCNS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CCNS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H18N2O5S3/c24-19(14-28-20(25)11-12-22-31(26,27)21-10-5-13-29-21)23-15-6-1-3-8-17(15)30-18-9-4-2-7-16(18)23/h1-10,13,22H,11-12,14H2