tert-butyl 4-[(3-oxidanylidene-3-phenothiazin-10-yl-propyl)carbamoyl]benzoate

Systemtic Name: tert-butyl 4-[(3-oxidanylidene-3-phenothiazin-10-yl-propyl)carbamoyl]benzoate Openeye Name: tert-butyl 4-[(3-oxo-3-phenothiazin-10-yl-propyl)carbamoyl]benzoate CAS Name: 4-[oxo-[[3-oxo-3-(10-phenothiazinyl)propyl]amino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-oxo-3-phenothiazin-10-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(3-keto-3-phenothiazin-10-yl-propyl)carbamoyl]benzoic acid tert-butyl ester Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)C(=O)NCCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C27H26N2O4S/c1-27(2,3)33-26(32)19-14-12-18(13-15-19)25(31)28-17-16-24(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,28,31)